 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer02_STD_M11_augccpVDZ.in
 Output=10_L-serine_conformer02_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-18886.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     18888.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer02_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:51:38 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer02_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.484901000000     -0.302102000000      0.506335000000
  C                                                -0.174290000000      0.470913000000      0.629509000000
  C                                                 0.994437000000     -0.392531000000      0.118480000000
  O                                                 1.968436000000      0.308886000000     -0.463036000000
  O                                                -1.787467000000     -0.569740000000     -0.856846000000
  N                                                -0.159010000000      1.757486000000     -0.072339000000
  O                                                 1.028452000000     -1.588853000000      0.241131000000
  H                                                 0.031855000000      0.652391000000      1.689135000000
  H                                                -1.427808000000     -1.222323000000      1.090638000000
  H                                                -2.303403000000      0.307977000000      0.891228000000
  H                                                 1.632660000000      1.234261000000     -0.497983000000
  H                                                -0.712360000000      1.685398000000     -0.921087000000
  H                                                -0.544717000000      2.501175000000      0.493903000000
  H                                                -1.250000000000     -1.321307000000     -1.135405000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:51:38 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.484901   -0.302102    0.506335
      2          6           0       -0.174290    0.470913    0.629509
      3          6           0        0.994437   -0.392531    0.118480
      4          8           0        1.968436    0.308886   -0.463036
      5          8           0       -1.787467   -0.569740   -0.856846
      6          7           0       -0.159010    1.757486   -0.072339
      7          8           0        1.028452   -1.588853    0.241131
      8          1           0        0.031855    0.652391    1.689135
      9          1           0       -1.427808   -1.222323    1.090638
     10          1           0       -2.303403    0.307977    0.891228
     11          1           0        1.632660    1.234261   -0.497983
     12          1           0       -0.712360    1.685398   -0.921087
     13          1           0       -0.544717    2.501175    0.493903
     14          1           0       -1.250000   -1.321307   -1.135405
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526573   0.000000
     3  C    2.511120   1.540328   0.000000
     4  O    3.638478   2.410639   1.333724   0.000000
     5  O    1.421773   2.427869   2.953245   3.877354   0.000000
     6  N    2.516894   1.465638   2.447330   2.603289   2.946745
     7  O    2.836019   2.416622   1.203074   2.231778   3.189599
     8  H    2.147236   1.094640   2.117872   2.915507   3.359398
     9  H    1.091548   2.156617   2.738780   4.036456   2.085165
    10  H    1.091002   2.151318   3.458844   4.481366   2.022953
    11  H    3.617769   2.262522   1.853054   0.985031   3.883358
    12  H    2.566030   2.041774   2.882992   3.048157   2.499126
    13  H    2.956766   2.068228   3.299011   3.469553   3.577635
    14  H    1.946604   2.735713   2.733560   3.669869   0.965049
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.564592   0.000000
     8  H    2.088170   2.848350   0.000000
     9  H    3.441166   2.624732   2.450177   0.000000
    10  H    2.761876   3.888682   2.491728   1.774331   0.000000
    11  H    1.914424   2.980156   2.772117   4.233791   4.275570
    12  H    1.015759   3.886116   2.904173   3.607457   2.777263
    13  H    1.011174   4.389429   2.275745   3.873032   2.839183
    14  H    3.435016   2.675402   3.676501   2.235326   2.805613
                   11         12         13         14
    11  H    0.000000
    12  H    2.425213   0.000000
    13  H    2.707375   1.641887   0.000000
    14  H    3.904736   3.061905   4.214669   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.88D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.484901   -0.302102    0.506335
      2          6           0       -0.174290    0.470913    0.629509
      3          6           0        0.994437   -0.392531    0.118480
      4          8           0        1.968436    0.308886   -0.463036
      5          8           0       -1.787467   -0.569740   -0.856846
      6          7           0       -0.159010    1.757486   -0.072339
      7          8           0        1.028452   -1.588853    0.241131
      8          1           0        0.031855    0.652391    1.689135
      9          1           0       -1.427808   -1.222323    1.090638
     10          1           0       -2.303403    0.307977    0.891228
     11          1           0        1.632660    1.234261   -0.497983
     12          1           0       -0.712360    1.685398   -0.921087
     13          1           0       -0.544717    2.501175    0.493903
     14          1           0       -1.250000   -1.321307   -1.135405
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.5618822           2.3721173           1.7326355
 Leave Link  202 at Thu Aug 12 20:51:39 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       328.9801627738 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 20:51:41 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  1.69D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 20:51:42 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:51:42 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer02_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:51:43 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.844972305647    
 DIIS: error= 3.15D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.844972305647     IErMin= 1 ErrMin= 3.15D-03
 ErrMax= 3.15D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-02 BMatP= 1.29D-02
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.15D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 GapD=    0.448 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.47D-03 MaxDP=2.95D-01              OVMax= 1.78D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.45D-03    CP:  9.78D-01
 E= -398.856770795114     Delta-E=       -0.011798489467 Rises=F Damp=F
 DIIS: error= 9.42D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.856770795114     IErMin= 2 ErrMin= 9.42D-04
 ErrMax= 9.42D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.89D-04 BMatP= 1.29D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.42D-03
 Coeff-Com:  0.225D-01 0.978D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.223D-01 0.978D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.44D-03 MaxDP=7.07D-02 DE=-1.18D-02 OVMax= 7.36D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.76D-04    CP:  9.79D-01  1.14D+00
 E= -398.857136672045     Delta-E=       -0.000365876930 Rises=F Damp=F
 DIIS: error= 9.54D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.857136672045     IErMin= 2 ErrMin= 9.42D-04
 ErrMax= 9.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.17D-04 BMatP= 7.89D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.54D-03
 Coeff-Com: -0.545D-01 0.505D+00 0.550D+00
 Coeff-En:   0.000D+00 0.268D+00 0.732D+00
 Coeff:     -0.539D-01 0.502D+00 0.552D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=2.90D-04 MaxDP=1.38D-02 DE=-3.66D-04 OVMax= 4.08D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.85D-04    CP:  9.79D-01  1.16D+00  1.11D+00
 E= -398.857610969981     Delta-E=       -0.000474297936 Rises=F Damp=F
 DIIS: error= 1.23D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.857610969981     IErMin= 4 ErrMin= 1.23D-04
 ErrMax= 1.23D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-05 BMatP= 7.17D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.23D-03
 Coeff-Com: -0.987D-02 0.216D-01 0.896D-01 0.899D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.986D-02 0.216D-01 0.895D-01 0.899D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.15D-04 MaxDP=5.93D-03 DE=-4.74D-04 OVMax= 1.23D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.19D-05    CP:  9.78D-01  1.16D+00  1.18D+00  1.10D+00
 E= -398.857624412778     Delta-E=       -0.000013442796 Rises=F Damp=F
 DIIS: error= 6.71D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.857624412778     IErMin= 5 ErrMin= 6.71D-05
 ErrMax= 6.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.23D-06 BMatP= 1.14D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.321D-02-0.582D-01-0.409D-01 0.407D+00 0.689D+00
 Coeff:      0.321D-02-0.582D-01-0.409D-01 0.407D+00 0.689D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=3.68D-05 MaxDP=1.53D-03 DE=-1.34D-05 OVMax= 6.64D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.18D-05    CP:  9.78D-01  1.17D+00  1.20D+00  1.17D+00  1.18D+00
 E= -398.857628265144     Delta-E=       -0.000003852367 Rises=F Damp=F
 DIIS: error= 1.95D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.857628265144     IErMin= 6 ErrMin= 1.95D-05
 ErrMax= 1.95D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.21D-07 BMatP= 4.23D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.272D-02-0.292D-01-0.316D-01 0.784D-01 0.311D+00 0.668D+00
 Coeff:      0.272D-02-0.292D-01-0.316D-01 0.784D-01 0.311D+00 0.668D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.05D-05 MaxDP=4.71D-04 DE=-3.85D-06 OVMax= 2.08D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.54D-06    CP:  9.78D-01  1.17D+00  1.21D+00  1.18D+00  1.26D+00
                    CP:  1.19D+00
 E= -398.857628759216     Delta-E=       -0.000000494072 Rises=F Damp=F
 DIIS: error= 5.30D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.857628759216     IErMin= 7 ErrMin= 5.30D-06
 ErrMax= 5.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-08 BMatP= 5.21D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.203D-03 0.102D-02-0.194D-02-0.368D-01-0.220D-01 0.145D+00
 Coeff-Com:  0.914D+00
 Coeff:      0.203D-03 0.102D-02-0.194D-02-0.368D-01-0.220D-01 0.145D+00
 Coeff:      0.914D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=6.49D-06 MaxDP=3.36D-04 DE=-4.94D-07 OVMax= 1.05D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.90D-06    CP:  9.78D-01  1.17D+00  1.20D+00  1.18D+00  1.31D+00
                    CP:  1.32D+00  1.23D+00
 E= -398.857628809824     Delta-E=       -0.000000050608 Rises=F Damp=F
 DIIS: error= 1.66D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.857628809824     IErMin= 8 ErrMin= 1.66D-06
 ErrMax= 1.66D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-09 BMatP= 2.73D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.183D-03 0.268D-02 0.249D-02-0.145D-01-0.313D-01-0.318D-01
 Coeff-Com:  0.185D+00 0.888D+00
 Coeff:     -0.183D-03 0.268D-02 0.249D-02-0.145D-01-0.313D-01-0.318D-01
 Coeff:      0.185D+00 0.888D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.88D-06 MaxDP=7.63D-05 DE=-5.06D-08 OVMax= 3.57D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.35D-07    CP:  9.78D-01  1.17D+00  1.20D+00  1.18D+00  1.32D+00
                    CP:  1.35D+00  1.35D+00  1.31D+00
 E= -398.857628814402     Delta-E=       -0.000000004578 Rises=F Damp=F
 DIIS: error= 5.68D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.857628814402     IErMin= 9 ErrMin= 5.68D-07
 ErrMax= 5.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-10 BMatP= 2.42D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.719D-04 0.735D-03 0.995D-03-0.152D-02-0.793D-02-0.248D-01
 Coeff-Com: -0.249D-01 0.294D+00 0.764D+00
 Coeff:     -0.719D-04 0.735D-03 0.995D-03-0.152D-02-0.793D-02-0.248D-01
 Coeff:     -0.249D-01 0.294D+00 0.764D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=4.66D-07 MaxDP=2.64D-05 DE=-4.58D-09 OVMax= 1.19D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.26D-07    CP:  9.78D-01  1.17D+00  1.20D+00  1.18D+00  1.32D+00
                    CP:  1.36D+00  1.38D+00  1.41D+00  1.06D+00
 E= -398.857628814961     Delta-E=       -0.000000000559 Rises=F Damp=F
 DIIS: error= 1.97D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.857628814961     IErMin=10 ErrMin= 1.97D-07
 ErrMax= 1.97D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.12D-11 BMatP= 3.90D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.223D-05-0.142D-03-0.308D-04 0.160D-02 0.207D-02-0.331D-02
 Coeff-Com: -0.316D-01-0.359D-01 0.198D+00 0.869D+00
 Coeff:      0.223D-05-0.142D-03-0.308D-04 0.160D-02 0.207D-02-0.331D-02
 Coeff:     -0.316D-01-0.359D-01 0.198D+00 0.869D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.91D-07 MaxDP=1.28D-05 DE=-5.59D-10 OVMax= 5.15D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.00D-07    CP:  9.78D-01  1.17D+00  1.20D+00  1.18D+00  1.32D+00
                    CP:  1.36D+00  1.38D+00  1.44D+00  1.14D+00  1.29D+00
 E= -398.857628815024     Delta-E=       -0.000000000063 Rises=F Damp=F
 DIIS: error= 7.34D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.857628815024     IErMin=11 ErrMin= 7.34D-08
 ErrMax= 7.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.98D-12 BMatP= 4.12D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.923D-05-0.116D-03-0.130D-03 0.533D-03 0.138D-02 0.210D-02
 Coeff-Com: -0.377D-02-0.422D-01-0.461D-01 0.191D+00 0.897D+00
 Coeff:      0.923D-05-0.116D-03-0.130D-03 0.533D-03 0.138D-02 0.210D-02
 Coeff:     -0.377D-02-0.422D-01-0.461D-01 0.191D+00 0.897D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=6.96D-08 MaxDP=4.50D-06 DE=-6.26D-11 OVMax= 1.97D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.14D-08    CP:  9.78D-01  1.17D+00  1.20D+00  1.18D+00  1.32D+00
                    CP:  1.36D+00  1.38D+00  1.45D+00  1.16D+00  1.44D+00
                    CP:  1.21D+00
 E= -398.857628815040     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 2.67D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -398.857628815040     IErMin=12 ErrMin= 2.67D-08
 ErrMax= 2.67D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-13 BMatP= 3.98D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.252D-05-0.203D-04-0.371D-04-0.635D-05 0.197D-03 0.927D-03
 Coeff-Com:  0.195D-02-0.824D-02-0.311D-01-0.284D-01 0.251D+00 0.814D+00
 Coeff:      0.252D-05-0.203D-04-0.371D-04-0.635D-05 0.197D-03 0.927D-03
 Coeff:      0.195D-02-0.824D-02-0.311D-01-0.284D-01 0.251D+00 0.814D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.84D-08 MaxDP=9.17D-07 DE=-1.64D-11 OVMax= 6.37D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.97D-09    CP:  9.78D-01  1.17D+00  1.20D+00  1.18D+00  1.32D+00
                    CP:  1.36D+00  1.38D+00  1.45D+00  1.16D+00  1.48D+00
                    CP:  1.29D+00  1.20D+00
 E= -398.857628815042     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 1.08D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -398.857628815042     IErMin=13 ErrMin= 1.08D-08
 ErrMax= 1.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-13 BMatP= 5.50D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.810D-06 0.138D-04 0.995D-05-0.969D-04-0.172D-03-0.232D-04
 Coeff-Com:  0.136D-02 0.417D-02-0.284D-02-0.423D-01-0.726D-01 0.268D+00
 Coeff-Com:  0.845D+00
 Coeff:     -0.810D-06 0.138D-04 0.995D-05-0.969D-04-0.172D-03-0.232D-04
 Coeff:      0.136D-02 0.417D-02-0.284D-02-0.423D-01-0.726D-01 0.268D+00
 Coeff:      0.845D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=7.87D-09 MaxDP=2.96D-07 DE=-1.36D-12 OVMax= 3.36D-07

 SCF Done:  E(RM11) =  -398.857628815     A.U. after   13 cycles
            NFock= 13  Conv=0.79D-08     -V/T= 2.0070
 KE= 3.960891832666D+02 PE=-1.592539471160D+03 EE= 4.686124963042D+02
 Leave Link  502 at Thu Aug 12 20:53:45 2021, MaxMem=  5368709120 cpu:             968.4 elap:             121.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.51915604D+02

 Leave Link  801 at Thu Aug 12 20:53:45 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4341 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 2.34D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 1.65D-01 6.35D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 2.32D-02 3.78D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 2.06D-03 1.07D-02.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 1.07D-04 1.68D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 4.09D-06 3.57D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 1.29D-07 4.78D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 3.65D-09 8.14D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 9.57D-11 1.38D-06.
      9 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 1.98D-12 1.52D-07.
      4 vectors produced by pass 10 Test12= 9.15D-14 8.33D-09 XBig12= 3.58D-14 1.89D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.612766D+02
      2  0.222216D+00  0.648689D+02
      3 -0.302516D+01 -0.120663D+01  0.517853D+02
 Isotropic polarizability for W=    0.088559       59.31 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.155168D+02 -0.595153D+01 -0.176505D+02
      2   0.108326D+02  0.136660D+02 -0.253792D+01
      3   0.468421D+01 -0.771442D+01  0.201884D+02
      4   0.151283D+02 -0.301474D+01 -0.913881D+01
      5   0.251560D+01 -0.103254D+02 -0.289864D+02
      6  -0.467360D+01  0.144718D+02  0.106316D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.160812D+01  0.819594D+01 -0.564891D+01
      2  -0.132224D+02 -0.422177D+01 -0.136052D+02
      3   0.102516D+02 -0.131885D+01  0.291374D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.118661D+01  0.170097D+02 -0.183460D+02
      2  -0.201661D+02 -0.446521D+01 -0.336706D+02
      3   0.210798D+02  0.138473D+02  0.565181D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.950665D+00  0.862079D+00 -0.808935D+00
      2   0.862079D+00  0.114463D+01  0.125309D+01
      3  -0.808935D+00  0.125309D+01  0.106130D+00
 OR G Eigenvalues:    -2.0075     0.2969     2.0107  Iso=    -0.1000
 Eigenvectors:
   (1)   0.741580  -0.412990   0.528677
   (2)  -0.662243  -0.324715   0.675274
   (3)   0.107212   0.850882   0.514301
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1000 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =      -48.27 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 5.48D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.82D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 3.78D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 2.31D-02 2.76D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 6.02D-04 4.61D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 1.02D-05 5.61D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 1.44D-07 5.39D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 1.89D-09 4.81D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 1.93D-11 4.19D-07.
     30 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 1.41D-13 4.03D-08.
      1 vectors produced by pass  8 Test12= 1.52D-14 2.78D-09 XBig12= 9.14D-16 3.10D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.44D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.44D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.46D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.612766D+02  0.222216D+00 -0.302516D+01
      2   0.222216D+00  0.648689D+02 -0.120663D+01
      3  -0.302516D+01 -0.120663D+01  0.517853D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.160812D+01  0.819594D+01 -0.564891D+01
      2  -0.132224D+02 -0.422177D+01 -0.136052D+02
      3   0.102516D+02 -0.131885D+01  0.291374D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.155168D+02 -0.595153D+01 -0.176505D+02
      2   0.108326D+02  0.136660D+02 -0.253792D+01
      3   0.468421D+01 -0.771442D+01  0.201884D+02
      4   0.151283D+02 -0.301474D+01 -0.913881D+01
      5   0.251560D+01 -0.103254D+02 -0.289864D+02
      6  -0.467360D+01  0.144718D+02  0.106316D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.465665D+00 -0.390348D+01 -0.123086D+01 -0.480998D+01  0.122687D+01
      2  -0.390348D+01 -0.218222D+00  0.169890D+01  0.122687D+01  0.166804D+01
      3  -0.123086D+01  0.169890D+01  0.988602D+00  0.144296D+01 -0.341690D+01
                 6             7             8             9            10 
      1   0.144296D+01 -0.229910D+01  0.132071D+01  0.266379D+01  0.728931D-01
      2  -0.341690D+01  0.132071D+01 -0.322040D+01  0.241688D+01  0.409326D+01
      3   0.181676D+01  0.266379D+01  0.241688D+01  0.106449D+01  0.340466D+00
                11            12            13            14            15 
      1   0.409326D+01  0.340466D+00  0.374325D+01 -0.900055D+00 -0.890459D+00
      2   0.216741D+00 -0.114418D+01 -0.900055D+00 -0.193221D+01  0.153633D+01
      3  -0.114418D+01 -0.146006D+01 -0.890459D+00  0.153633D+01 -0.111244D+01
                16            17            18            19            20 
      1   0.116561D+01 -0.164143D-01 -0.130379D+01  0.192020D+01 -0.229986D+01
      2  -0.164143D-01  0.140801D+01 -0.196371D+01 -0.229986D+01  0.460063D+00
      3  -0.130379D+01 -0.196371D+01 -0.605209D+01  0.118358D+00  0.726911D+00
                21            22            23            24            25 
      1   0.118358D+00 -0.127780D+01  0.185585D+00  0.997360D+00 -0.217369D+00
      2   0.726911D+00  0.185585D+00  0.582003D+01 -0.658029D+00  0.991240D+00
      3   0.750228D+00  0.997360D+00 -0.658029D+00  0.306247D+00  0.347403D+00
                26            27            28            29            30 
      1   0.991240D+00  0.347403D+00  0.704255D+01  0.996344D+00 -0.165867D+01
      2  -0.128687D+01  0.233219D+00  0.996344D+00  0.181380D+01 -0.340304D+00
      3   0.233219D+00  0.297120D+00 -0.165867D+01 -0.340304D+00  0.117244D+01
                31            32            33            34            35 
      1  -0.209578D+01  0.321297D+01  0.312166D+00 -0.153178D+01 -0.384667D+00
      2   0.321297D+01 -0.214331D+01 -0.537634D+00 -0.384667D+00  0.770299D-01
      3   0.312166D+00 -0.537634D+00  0.107247D+00  0.205531D+01  0.888651D+00
                36            37            38            39            40 
      1   0.205531D+01 -0.310211D+01  0.406091D+00 -0.149882D+01  0.174809D+01
      2   0.888651D+00  0.406091D+00 -0.179509D+01 -0.105607D+01 -0.170415D+01
      3  -0.233588D+01 -0.149882D+01 -0.105607D+01 -0.191539D+01 -0.951395D+00
                41            42            43            44            45 
      1  -0.170415D+01 -0.951395D+00 -0.100614D+01 -0.148241D+01 -0.295105D+01
      2   0.177386D+01  0.368811D+00 -0.148241D+01  0.415749D+00 -0.812740D+00
      3   0.368811D+00  0.129809D+01 -0.295105D+01 -0.812740D+00 -0.377310D+01
                46            47            48            49            50 
      1   0.907285D+00 -0.917328D+00  0.539570D+00 -0.756885D+00  0.282900D+01
      2  -0.917328D+00  0.290260D+01  0.570168D+00  0.282900D+01  0.257403D+01
      3   0.539570D+00  0.570168D+00  0.253663D+01  0.651764D+00 -0.268339D+01
                51            52            53            54            55 
      1   0.651764D+00  0.568835D+00  0.709646D+00  0.251617D+01  0.424828D+00
      2  -0.268339D+01  0.709646D+00 -0.302357D+01  0.245207D+00 -0.279167D+01
      3   0.245680D+00  0.251617D+01  0.245207D+00  0.132141D+01  0.356972D+00
                56            57            58            59            60 
      1  -0.279167D+01  0.356972D+00 -0.320029D+01  0.949004D+00 -0.226330D+00
      2   0.135001D+01 -0.508686D+00  0.949004D+00 -0.133665D+02  0.922824D+00
      3  -0.508686D+00 -0.438488D-01 -0.226330D+00  0.922824D+00 -0.234736D+01
                61            62            63            64            65 
      1   0.617165D+00 -0.365848D+00  0.348948D+00  0.624501D+00 -0.179306D+00
      2  -0.365848D+00  0.621867D+00 -0.300656D+01 -0.179306D+00  0.350089D+00
      3   0.348948D+00 -0.300656D+01  0.814103D+00  0.145222D+01  0.447915D+00
                66            67            68            69            70 
      1   0.145222D+01 -0.316916D+00  0.349547D+00  0.393227D+00  0.161807D+01
      2   0.447915D+00  0.349547D+00  0.144282D+01  0.134837D+01  0.140434D+00
      3   0.103558D+01  0.393227D+00  0.134837D+01  0.106846D+01  0.929621D+00
                71            72            73            74            75 
      1   0.140434D+00  0.929621D+00  0.121500D+00 -0.629869D+00  0.936196D+00
      2   0.170519D+01  0.163540D+01 -0.629869D+00 -0.395130D+00 -0.258366D-01
      3   0.163540D+01  0.898300D+01  0.936196D+00 -0.258366D-01  0.433199D-01
                76            77            78            79            80 
      1  -0.122313D+01 -0.122834D+01  0.400042D+00  0.110080D+01  0.444876D+00
      2  -0.122834D+01 -0.567702D+01  0.287403D+01  0.444876D+00  0.268346D+01
      3   0.400042D+00  0.287403D+01 -0.304682D+01 -0.686233D+00 -0.263675D+01
                81            82            83            84            85 
      1  -0.686233D+00 -0.629265D+01  0.207732D+01  0.210770D+01  0.353156D+01
      2  -0.263675D+01  0.207732D+01 -0.153428D+01 -0.817466D+00 -0.203494D+01
      3   0.342533D+01  0.210770D+01 -0.817466D+00 -0.195669D+01 -0.109627D+01
                86            87            88            89            90 
      1  -0.203494D+01 -0.109627D+01  0.214552D+01 -0.627805D+00 -0.206608D+01
      2   0.209724D+01  0.144822D+01 -0.627805D+00  0.108026D+01  0.698668D+00
      3   0.144822D+01  0.122403D+01 -0.206608D+01  0.698668D+00  0.167998D+01
                91            92            93            94            95 
      1  -0.607403D+00  0.175392D+01  0.238747D+00  0.410897D+01 -0.609643D+00
      2   0.175392D+01 -0.495716D+00 -0.187026D+00 -0.609643D+00  0.463027D+01
      3   0.238747D+00 -0.187026D+00  0.340714D+00 -0.857462D+00 -0.491765D+00
                96            97            98            99           100 
      1  -0.857462D+00 -0.356859D-01 -0.258009D+00  0.598172D+00 -0.119120D+01
      2  -0.491765D+00 -0.258009D+00 -0.418715D+00  0.508443D+00  0.630064D+00
      3   0.100479D+01  0.598172D+00  0.508443D+00 -0.775890D+00 -0.154343D+01
               101           102           103           104           105 
      1   0.630064D+00 -0.154343D+01  0.199453D+00 -0.649981D+00  0.101369D+00
      2  -0.126974D+01  0.516691D+00 -0.649981D+00  0.159885D+00 -0.542058D+00
      3   0.516691D+00 -0.207507D+01  0.101369D+00 -0.542058D+00  0.102114D+00
               106           107           108           109           110 
      1  -0.256933D+01  0.251168D+00 -0.192342D+01 -0.715521D+00  0.161563D+01
      2   0.251168D+00 -0.187523D+01  0.100461D+01  0.161563D+01 -0.274008D+01
      3  -0.192342D+01  0.100461D+01 -0.435375D+01  0.301854D+00 -0.657918D+00
               111           112           113           114           115 
      1   0.301854D+00  0.215705D+01 -0.241386D+01 -0.767557D+00  0.104023D+01
      2  -0.657918D+00 -0.241386D+01  0.640180D+01  0.172041D+01 -0.111437D+01
      3  -0.694660D+00 -0.767557D+00  0.172041D+01  0.149422D+01 -0.821982D+00
               116           117           118           119           120 
      1  -0.111437D+01 -0.821982D+00  0.126080D+01 -0.851118D+00 -0.460309D+00
      2   0.332095D+01  0.180201D+01 -0.851118D+00  0.135496D+01  0.776907D+00
      3   0.180201D+01  0.157790D+01 -0.460309D+00  0.776907D+00  0.127822D+01
               121           122           123           124           125 
      1  -0.180759D+01  0.788000D+00  0.490593D+00 -0.596826D+00  0.391451D+00
      2   0.788000D+00 -0.344891D+01 -0.188922D+01  0.391451D+00 -0.148774D+01
      3   0.490593D+00 -0.188922D+01 -0.216099D+01  0.293132D+00 -0.101334D+01
               126 
      1   0.293132D+00
      2  -0.101334D+01
      3  -0.187262D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.566160D+01 -0.107092D+01  0.208426D+01  0.171656D+00 -0.398015D+00
      2   0.755857D+01  0.290223D+01  0.160283D+01  0.571873D+01  0.524086D+01
      3  -0.805163D+01 -0.597828D-01  0.355812D+01  0.725636D+01  0.563559D+01
                 6             7             8             9            10 
      1  -0.474042D+01  0.174554D+01 -0.286844D+01  0.372073D+01  0.486009D+01
      2  -0.432649D+01 -0.224800D+01 -0.452261D+01 -0.229348D+01 -0.372767D+01
      3  -0.623591D+01  0.132606D+01 -0.558775D+01  0.306083D+01  0.218247D+01
                11            12            13            14            15 
      1   0.817669D+00 -0.151486D+00  0.462609D+00 -0.763885D+00  0.970155D+00
      2  -0.367187D+01  0.274127D+01 -0.643291D+01 -0.215445D+01 -0.540458D+00
      3  -0.435537D+01 -0.138921D+01  0.222943D+01  0.139652D+01  0.129534D+01
                16            17            18            19            20 
      1   0.692716D+00  0.616231D+01 -0.509787D+00 -0.143516D+01  0.261645D+01
      2  -0.263598D+01 -0.955558D+00 -0.261908D+00 -0.945609D+01  0.213196D+01
      3   0.197199D+01  0.186768D+01 -0.883381D+00  0.477243D+01 -0.401682D+01
                21            22            23            24            25 
      1   0.340816D+00  0.370001D+01  0.135126D+01  0.746890D+01 -0.181862D+01
      2  -0.196552D+01 -0.956758D+00  0.101225D+01  0.196269D+01 -0.164463D+02
      3  -0.315377D+00 -0.463868D+01 -0.884798D+01 -0.275138D+01 -0.456878D-01
                26            27            28            29            30 
      1   0.813651D+01 -0.141781D+01  0.129841D+01 -0.345758D+01 -0.212900D+01
      2   0.361639D+01  0.730021D+01  0.144084D+01 -0.171513D+01  0.671161D+01
      3  -0.294513D+01 -0.189974D-01  0.261717D+01 -0.122452D+02  0.353859D+00
                31            32            33            34            35 
      1  -0.305097D+01  0.338191D+01 -0.328180D+01  0.507565D+00  0.276129D+01
      2  -0.208122D+01  0.949697D+00 -0.623917D+00  0.549847D+01 -0.702897D+00
      3  -0.838574D+01  0.119390D+02  0.135540D+01 -0.545249D+00  0.252765D+01
                36            37            38            39            40 
      1   0.578229D+00 -0.144577D+01  0.295159D+01 -0.175370D+01  0.821784D+00
      2  -0.577935D+01 -0.329835D+00  0.392967D+01  0.987579D+01  0.195362D+01
      3  -0.163066D+01  0.477049D+01 -0.773068D+01 -0.279524D+01 -0.316332D+01
                41            42            43            44            45 
      1  -0.419700D+01 -0.448485D+01 -0.395037D+00  0.448512D+01 -0.498306D+01
      2  -0.193648D+01 -0.191060D+01 -0.773567D+00  0.255429D+00  0.795198D+01
      3   0.472562D+01  0.123526D+01 -0.117799D+01  0.254365D+00  0.412948D+00
                46            47            48            49            50 
      1  -0.177989D+01 -0.265875D+01 -0.556116D+01 -0.318681D+01  0.879277D+01
      2   0.594456D+00 -0.182528D+01  0.509033D+01  0.100551D+01  0.299029D+00
      3   0.183762D+01 -0.867752D+01  0.281006D+01  0.252967D+01  0.451780D+01
                51            52            53            54            55 
      1  -0.450581D+01 -0.663682D+01  0.512538D+01 -0.178053D+01  0.313310D+00
      2   0.774582D+00 -0.239654D+01  0.963423D+00  0.525298D+00  0.209584D+01
      3   0.170801D+01  0.139270D+01  0.260527D+01  0.572495D+01  0.138266D+01
                56            57            58            59            60 
      1   0.203661D+00  0.153192D+01  0.347514D+00 -0.205685D+01 -0.113299D+02
      2  -0.934784D+00  0.321804D+01  0.298571D+01 -0.256545D+00 -0.366807D+01
      3  -0.198755D+01  0.421627D+00  0.125378D+02  0.150690D+02 -0.324702D+00
                61            62            63            64            65 
      1   0.930980D+00  0.557215D+00  0.337688D+00 -0.848478D+00  0.167506D+00
      2   0.922085D+00 -0.489951D+01 -0.828762D+00 -0.330356D+00 -0.123925D+00
      3   0.208722D+00 -0.713406D-01  0.396020D+01  0.686393D-01 -0.613900D+00
                66            67            68            69            70 
      1  -0.210704D+00 -0.968751D-01  0.151208D+01 -0.250644D+00 -0.287820D+00
      2  -0.719686D+00  0.497872D+00 -0.364499D+00 -0.269851D+00 -0.352298D+01
      3   0.957525D+00  0.122031D+01  0.121048D+00  0.270346D+00  0.772926D+00
                71            72            73            74            75 
      1   0.303907D+01 -0.261243D+01 -0.144456D+00 -0.869265D-01 -0.882434D-01
      2  -0.577734D+00 -0.250295D+01 -0.236856D+01  0.365179D+00 -0.546003D+00
      3  -0.888648D-01  0.691638D+00 -0.109798D+01 -0.164124D+00 -0.607746D+00
                76            77            78            79            80 
      1  -0.823776D+00 -0.552182D+01 -0.724663D+00  0.228341D+00  0.278959D+01
      2   0.151732D+01 -0.353029D+01  0.473740D+01 -0.175187D+01  0.349664D+01
      3   0.133592D+01 -0.993460D+01  0.484205D+01 -0.572781D+00  0.445317D+01
                81            82            83            84            85 
      1  -0.104577D+00  0.226927D+01 -0.192461D+01 -0.230839D+00 -0.169947D+01
      2  -0.469366D+01  0.231831D+01 -0.401810D+00  0.337832D+01 -0.211417D+01
      3  -0.430856D+01  0.450314D+01 -0.545335D+01 -0.208408D+01 -0.268055D+01
                86            87            88            89            90 
      1   0.234923D+01  0.317981D+00 -0.850852D+00  0.238700D+01  0.354378D+00
      2  -0.689986D+00 -0.209517D+01  0.380461D+00 -0.539082D+00 -0.132042D+01
      3   0.487947D+01  0.289418D+01 -0.124196D+01  0.260559D+01  0.140271D+01
                91            92            93            94            95 
      1  -0.172601D+01  0.264851D+01 -0.125961D+01  0.285235D+01 -0.429953D+01
      2  -0.186830D+01  0.155803D+01 -0.827732D+00  0.165083D+01 -0.281710D+01
      3  -0.388824D+01  0.694352D+01  0.511398D+00  0.101560D+02 -0.167432D+02
                96            97            98            99           100 
      1  -0.463590D+00 -0.923767D+00  0.136749D+01  0.644269D+00  0.357303D+01
      2   0.251305D+01 -0.170414D+01  0.151001D+01  0.924123D-03 -0.129235D+01
      3   0.168874D+00 -0.278669D-01 -0.516489D+00  0.310842D+00 -0.267315D+01
               101           102           103           104           105 
      1   0.131186D+00  0.521482D+01  0.772572D+00  0.171701D+01 -0.224286D+00
      2   0.878257D-01  0.227888D-01 -0.554386D+00 -0.885430D+00 -0.378131D+00
      3  -0.152457D+00 -0.329042D+01  0.399002D+00 -0.168992D+01  0.116050D+00
               106           107           108           109           110 
      1   0.499099D+01 -0.225255D-02  0.899525D+01 -0.448720D+00  0.185388D+01
      2  -0.253844D+01 -0.408699D+00  0.141534D+00  0.428266D+00  0.482028D-01
      3  -0.620313D+01 -0.276040D+00 -0.428834D+01 -0.185408D+01  0.220891D+01
               111           112           113           114           115 
      1   0.217798D+01  0.275518D+01 -0.412493D+01 -0.472545D+01  0.222269D+01
      2   0.357244D+00 -0.353001D+00  0.668298D-02 -0.544651D+00 -0.102568D+01
      3   0.535215D+00  0.642777D+01 -0.406229D+01 -0.207893D+01  0.306993D+01
               116           117           118           119           120 
      1  -0.333467D+01 -0.381459D+01  0.117596D+01 -0.219168D+01  0.349473D-01
      2   0.314326D-01 -0.433644D+00  0.342293D+01 -0.295187D+01 -0.304486D+01
      3  -0.194408D+01 -0.199671D+01 -0.467852D+01  0.386766D+01  0.193711D+01
               121           122           123           124           125 
      1  -0.151182D+01  0.285936D+01  0.799061D-01 -0.296925D+00  0.183098D+01
      2  -0.283716D+01  0.512627D+01  0.436962D+01 -0.239784D+01  0.262347D+01
      3   0.541632D+01 -0.689674D+01 -0.400813D+01  0.107234D+01 -0.288404D+01
               126 
      1  -0.106048D-01
      2   0.370776D+01
      3  -0.243745D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.757950D+01  0.124834D+02  0.763293D+01  0.155324D+02  0.835825D+00
      2   0.277748D+01 -0.910994D+01 -0.276224D+01 -0.109593D+02 -0.657894D+00
      3   0.480201D+01 -0.337345D+01 -0.487069D+01 -0.457311D+01 -0.177932D+00
      4   0.140655D+02 -0.255290D+01 -0.683298D+01 -0.513682D+01 -0.244610D+01
      5   0.630552D+01 -0.100482D+02 -0.764625D+01 -0.123387D+02  0.119824D+02
      6  -0.403195D+01 -0.181256D+00  0.995546D+00  0.330965D+01  0.810892D+01
                 6             7             8             9            10 
      1  -0.103817D+02  0.554267D+01 -0.874366D+01 -0.489690D+01 -0.451080D+01
      2   0.757762D+01 -0.465948D+01  0.219602D+01  0.281499D+01  0.736323D+01
      3   0.280406D+01 -0.883192D+00  0.654764D+01  0.208191D+01 -0.285243D+01
      4   0.100167D+02 -0.903197D+01  0.766045D+01 -0.552304D+01 -0.231483D+01
      5  -0.354240D+01 -0.165245D+02 -0.614438D+01 -0.909056D+00  0.154262D+00
      6  -0.994575D+01 -0.145451D+01 -0.123683D+02  0.368036D+01  0.566582D+00
                11            12            13            14            15 
      1  -0.149553D+01  0.377403D+01 -0.514935D+01  0.361178D+01  0.136203D+01
      2   0.229402D+01  0.229311D+01  0.349862D+01 -0.666338D+01  0.277977D+01
      3  -0.798495D+00 -0.606714D+01  0.165073D+01  0.305160D+01 -0.414180D+01
      4   0.396362D+01  0.311931D+00 -0.435948D+01 -0.274126D+01 -0.605608D+00
      5   0.284151D+01  0.189151D+01  0.582374D+01 -0.141099D+01 -0.156996D+01
      6  -0.196889D+01 -0.276976D+01 -0.837495D+00  0.138282D+01 -0.286542D+01
                16            17            18            19            20 
      1  -0.935038D+00 -0.291408D+00  0.137242D+02 -0.604943D+01 -0.646193D+01
      2   0.283920D+01  0.108548D+02  0.104775D+02  0.120032D+01  0.581202D+01
      3  -0.190416D+01 -0.105633D+02 -0.242017D+02  0.484911D+01  0.649905D+00
      4   0.335278D+01 -0.227060D+01 -0.102731D+01 -0.382075D+01 -0.254429D+01
      5   0.129335D+00  0.107201D+01 -0.179128D+01  0.443562D+01  0.225160D+01
      6  -0.118896D+01 -0.267555D+01 -0.103274D+02  0.401035D+00  0.243983D+00
                21            22            23            24            25 
      1  -0.133561D+01 -0.140005D+01  0.141582D+02 -0.133822D+01  0.534312D+01
      2  -0.645506D+01  0.375212D+01 -0.256058D+02 -0.211378D+01 -0.567022D+01
      3   0.779066D+01 -0.235207D+01  0.114476D+02  0.345200D+01  0.327094D+00
      4   0.167563D+01 -0.138196D+02  0.183141D+02 -0.264515D+01  0.401308D+01
      5  -0.333029D+01  0.243555D+01 -0.529397D+01  0.142138D+01  0.138845D+01
      6  -0.866056D+00 -0.187264D+01  0.311822D+01 -0.113359D+02  0.179789D+01
                26            27            28            29            30 
      1   0.221496D+01 -0.259706D+01  0.419528D+02  0.476908D+01 -0.470616D+01
      2  -0.353675D+00 -0.382877D+01 -0.264739D+02 -0.881472D+00  0.711949D+01
      3  -0.186129D+01  0.642583D+01 -0.154789D+02 -0.388761D+01 -0.241333D+01
      4   0.187103D+01  0.191194D+01  0.111668D+02  0.114649D+02 -0.198161D+01
      5   0.937586D+00  0.696032D+01 -0.910024D+01 -0.113770D+01  0.136872D+02
      6   0.206817D+01  0.277443D+01 -0.529564D+00 -0.120481D+01  0.290395D+01
                31            32            33            34            35 
      1  -0.508613D+01  0.804591D+01  0.149917D+01 -0.452160D+01 -0.908338D+00
      2   0.601114D+01 -0.340873D+01 -0.564490D+00  0.559159D+01  0.526233D+00
      3  -0.925016D+00 -0.463719D+01 -0.934678D+00 -0.106999D+01  0.382104D+00
      4   0.123024D+02 -0.154812D+01 -0.150111D+01 -0.314705D+01 -0.165923D+01
      5   0.144749D+01 -0.203856D+01  0.258882D+00  0.138772D+02  0.385234D+01
      6  -0.163808D+01  0.974070D+00  0.676704D+01  0.550071D+00  0.475735D+01
                36            37            38            39            40 
      1   0.398047D+01  0.196233D+02 -0.432818D+01  0.157895D+01 -0.665179D+01
      2  -0.107720D+02 -0.119288D+02  0.486779D+01 -0.387200D+01  0.637082D+01
      3   0.679153D+01 -0.769450D+01 -0.539604D+00  0.229305D+01  0.280968D+00
      4   0.280256D+01  0.400370D+01  0.919569D+01  0.366596D+01  0.922673D+01
      5  -0.117306D+02  0.106481D+02  0.233922D+01  0.129607D+02  0.277997D+01
      6  -0.152999D+01 -0.106959D+00  0.661298D+01  0.532602D+01  0.391144D+01
                41            42            43            44            45 
      1   0.698712D+01  0.414587D+01  0.369540D+01  0.533375D+01  0.129619D+01
      2  -0.178687D+01 -0.325672D+01 -0.369244D+01 -0.204130D+01 -0.140103D+02
      3  -0.520025D+01 -0.889150D+00 -0.296009D-02 -0.329245D+01  0.127141D+02
      4  -0.899450D+00  0.903517D+00  0.698052D+01  0.132346D+01  0.393606D+01
      5   0.206677D+01 -0.189274D+01  0.183037D+02  0.438251D+01  0.170973D+02
      6  -0.389786D+01  0.281833D+01  0.435489D+01  0.736412D+01  0.305554D+01
                46            47            48            49            50 
      1   0.118949D+02 -0.737616D+01 -0.246354D+01 -0.507372D+01 -0.103335D+02
      2  -0.815441D+01  0.130421D+02  0.472985D+01  0.115642D+02  0.142102D+02
      3  -0.374050D+01 -0.566592D+01 -0.226631D+01 -0.649046D+01 -0.387666D+01
      4   0.165612D+01 -0.210707D+01  0.212056D+01  0.237972D+01  0.117321D+02
      5  -0.236722D+01 -0.801371D+00  0.770951D+00 -0.167661D+01  0.223650D+01
      6   0.208620D+01  0.361080D+01  0.984688D+01  0.337713D+01 -0.146561D+02
                51            52            53            54            55 
      1   0.706550D+01 -0.376374D+01  0.853697D+01 -0.260516D+01  0.492001D+01
      2  -0.117157D+02  0.727731D+01 -0.159419D+02  0.861206D-01  0.187487D+01
      3   0.465018D+01 -0.351357D+01  0.740491D+01  0.251904D+01 -0.679488D+01
      4   0.250938D+01  0.228811D+01  0.410683D+01  0.958197D+01 -0.103424D+02
      5   0.151932D+01  0.226293D+01  0.207291D+01 -0.363596D+01  0.239684D+01
      6   0.495409D+01  0.101778D+02  0.184956D+01  0.168646D+01 -0.121924D+01
                56            57            58            59            60 
      1  -0.460854D+01  0.107559D+00 -0.575076D+01 -0.289061D+02  0.294430D+01
      2  -0.496469D+00  0.114400D+01 -0.107886D+01  0.513415D+02 -0.126563D+01
      3   0.510501D+01 -0.125155D+01  0.682962D+01 -0.224354D+02 -0.167868D+01
      4   0.160322D+02 -0.168439D+01  0.184044D+02 -0.331585D+02  0.440819D+01
      5  -0.275425D+01  0.554186D+01 -0.161854D+01  0.784528D+01 -0.669764D+01
      6   0.155153D+01 -0.238896D+01  0.311959D+01 -0.506967D+01  0.165553D+02
                61            62            63            64            65 
      1   0.465758D+00  0.115762D+01 -0.637955D+01 -0.224688D-01 -0.137371D+01
      2   0.124390D+01 -0.745813D+00  0.381107D+01 -0.401446D+01  0.405098D+00
      3  -0.170966D+01 -0.411808D+00  0.256848D+01  0.403693D+01  0.968611D+00
      4  -0.142240D+01  0.200786D+01 -0.798625D+01  0.685506D+00  0.211587D+01
      5   0.581130D+01 -0.844725D+01  0.292804D+01  0.137734D+01  0.120970D+01
      6  -0.277589D+01  0.145472D+02 -0.288736D+01  0.218542D+01  0.158144D+01
                66            67            68            69            70 
      1  -0.254975D+01 -0.304703D+00 -0.513916D+01 -0.310431D+01 -0.154679D+01
      2  -0.172859D+01 -0.502467D+00  0.827836D+00  0.759767D+00 -0.119583D+01
      3   0.427834D+01  0.807170D+00  0.431132D+01  0.234455D+01  0.274263D+01
      4   0.192153D+01  0.251873D+01  0.303043D+00  0.435144D+00  0.665247D+00
      5   0.702539D+01  0.453224D+00  0.694262D+00  0.441133D+00  0.566722D+01
      6   0.184519D+01  0.141174D+01  0.395463D+01  0.874186D+01  0.110913D+01
                71            72            73            74            75 
      1  -0.488325D+01 -0.209821D+02  0.793605D+00  0.181396D+01 -0.379595D+01
      2  -0.110345D+01 -0.179950D+02  0.337214D+00 -0.527220D-01  0.162985D+01
      3   0.598670D+01  0.389771D+02 -0.113082D+01 -0.176124D+01  0.216610D+01
      4   0.682202D+00  0.127936D+01  0.202939D+01  0.449768D+01 -0.162199D+01
      5   0.925221D-01  0.192961D+01 -0.333555D+01 -0.143161D+01  0.292437D+01
      6   0.789402D+01  0.143466D+02 -0.267287D+01 -0.531374D+00  0.848465D-01
                76            77            78            79            80 
      1   0.262397D+01 -0.711718D+01  0.610329D+01 -0.261441D+01  0.529321D+01
      2  -0.749258D+00  0.985831D+01 -0.295644D+01  0.220113D+01 -0.119100D+01
      3  -0.187471D+01 -0.274113D+01 -0.314685D+01  0.413278D+00 -0.410222D+01
      4   0.759277D+01  0.165102D+02 -0.841136D+01 -0.254202D+01 -0.701685D+01
      5  -0.369779D+01 -0.984855D+01  0.102181D+02  0.556874D+01  0.843588D+01
      6  -0.277211D+01 -0.157861D+02  0.128747D+02  0.177752D+01  0.119452D+02
                81            82            83            84            85 
      1  -0.657096D+01  0.319772D+02 -0.912488D+01 -0.889057D+01 -0.138062D+02
      2  -0.147082D+01 -0.190387D+02  0.482362D+01  0.741384D+01  0.769433D+01
      3   0.804178D+01 -0.129385D+02  0.430126D+01  0.147673D+01  0.611186D+01
      4   0.692476D+01 -0.113780D+02  0.918202D+01  0.444061D+01  0.119199D+02
      5  -0.105820D+02 -0.172701D+02  0.618143D+01  0.129287D+02  0.900634D+01
      6  -0.122728D+02  0.320057D+01 -0.266917D+01 -0.130922D+01 -0.374774D+01
                86            87            88            89            90 
      1   0.604836D+01  0.370809D+01 -0.751082D+01  0.181320D+01  0.528626D+01
      2  -0.174029D+01 -0.375017D+01  0.739527D+01 -0.215349D+01 -0.701520D+01
      3  -0.430807D+01  0.420817D-01  0.115552D+00  0.340284D+00  0.172893D+01
      4  -0.112964D+02 -0.632509D+01  0.373391D+01 -0.433795D+01 -0.412826D+01
      5  -0.768732D+01 -0.734155D+01  0.137941D+02 -0.478925D+01 -0.104106D+02
      6   0.318537D+01  0.423554D+01 -0.208998D+01  0.418066D+01  0.252771D+01
                91            92            93            94            95 
      1  -0.678879D+01  0.273257D+01  0.684709D+00  0.127685D+02 -0.463932D+01
      2   0.726106D+01 -0.133373D+00 -0.136954D+01 -0.833432D+01  0.702893D+01
      3  -0.472266D+00 -0.259920D+01  0.684832D+00 -0.443418D+01 -0.238960D+01
      4   0.399609D+01  0.149395D+01  0.484853D-02  0.590851D+01  0.133530D+02
      5   0.183969D+01 -0.937871D+00 -0.112095D+01 -0.355371D+01 -0.104804D+01
      6  -0.385672D+00 -0.711764D-01  0.223834D+01 -0.126365D+01 -0.338874D+01
                96            97            98            99           100 
      1  -0.120017D+01  0.138996D+01  0.649427D+00 -0.975691D+00  0.124224D+01
      2   0.115347D+01 -0.853923D+00 -0.352844D+00 -0.108739D+00 -0.636707D+00
      3   0.466981D-01 -0.536037D+00 -0.296583D+00  0.108443D+01 -0.605529D+00
      4  -0.311456D+01 -0.745709D+00 -0.166811D+01  0.238193D+01 -0.430582D+01
      5   0.457205D+01  0.211770D+01  0.191339D+01 -0.128079D+01  0.427850D+01
      6   0.133901D+01  0.151294D+01  0.240498D+01 -0.197294D+01 -0.476223D+01
               101           102           103           104           105 
      1   0.221865D+01  0.386196D+00  0.669335D+00 -0.358977D+00  0.974760D+00
      2  -0.397401D+01 -0.160989D+01 -0.186239D+01  0.131484D+01 -0.172026D+01
      3   0.175536D+01  0.122369D+01  0.119305D+01 -0.955858D+00  0.745499D+00
      4   0.532070D+01 -0.503132D+01  0.347298D+01 -0.143855D+01  0.154067D+01
      5  -0.117232D+01  0.493199D+01 -0.330226D+00  0.166942D+01 -0.889840D+00
      6   0.263638D+01 -0.812342D+01  0.156345D+01 -0.120634D+01  0.223263D+01
               106           107           108           109           110 
      1   0.821927D+00  0.331587D+01 -0.312047D+01 -0.122378D+01  0.522269D+01
      2  -0.287088D+01 -0.490618D+01 -0.400548D+01  0.520780D+01 -0.124983D+02
      3   0.204895D+01  0.159031D+01  0.712595D+01 -0.398402D+01  0.727558D+01
      4  -0.825141D+01  0.367458D+01 -0.718375D+01 -0.519218D+01  0.103864D+02
      5   0.479497D+01 -0.225961D+01  0.732733D+01 -0.152429D+01  0.177091D+01
      6  -0.719289D+01  0.454996D+01 -0.145225D+02  0.275880D+01 -0.514284D+01
               111           112           113           114           115 
      1   0.112340D+01  0.420965D+01 -0.157611D+02 -0.470843D+01  0.200671D+01
      2  -0.251778D+01 -0.102484D+02  0.310060D+02  0.864298D+01 -0.403611D+01
      3   0.139437D+01  0.603877D+01 -0.152448D+02 -0.393456D+01  0.202940D+01
      4   0.228901D+01  0.104153D+02 -0.140728D+02 -0.447020D+01  0.405980D+01
      5   0.262964D+01  0.637884D+00 -0.231835D+01 -0.151830D+01  0.243948D+01
      6  -0.375690D+01 -0.500529D+01  0.128780D+02  0.850162D+01 -0.457161D+01
               116           117           118           119           120 
      1  -0.838661D+01 -0.554862D+01 -0.452724D+01  0.582487D+01  0.442025D+01
      2   0.137674D+02  0.627622D+01  0.337403D+01 -0.424652D+01 -0.199827D+01
      3  -0.538084D+01 -0.727594D+00  0.115320D+01 -0.157835D+01 -0.242198D+01
      4  -0.694846D+01 -0.431117D+01 -0.269403D-01 -0.157986D+01 -0.484430D+00
      5  -0.228259D+01 -0.220977D+01 -0.863565D+00  0.482364D+00 -0.140947D+01
      6   0.124115D+02  0.894681D+01  0.250986D+01 -0.446761D+01 -0.402646D+01
               121           122           123           124           125 
      1   0.727071D+01 -0.106777D+02 -0.626577D+01  0.364362D+01 -0.429734D+01
      2  -0.485995D+01  0.107672D+02  0.482072D+01 -0.155274D+01  0.224960D+01
      3  -0.241076D+01 -0.895110D-01  0.144505D+01 -0.209088D+01  0.204774D+01
      4   0.450976D+00  0.761090D+01  0.423427D+01  0.470904D-01  0.257478D+01
      5   0.631351D+00  0.315118D+01  0.502158D+01  0.164589D+01  0.138613D+01
      6  -0.258115D+01  0.919618D+01  0.691227D+01 -0.178421D+01  0.594004D+01
               126 
      1  -0.513422D+01
      2   0.121695D+01
      3   0.391727D+01
      4   0.134121D+01
      5   0.328234D+01
      6   0.528845D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:11:24 2021, MaxMem=  5368709120 cpu:            8465.6 elap:            1058.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51759 -19.49284 -19.46894 -14.64401 -10.58034
 Alpha  occ. eigenvalues --  -10.50253 -10.50201  -1.25457  -1.18150  -1.16308
 Alpha  occ. eigenvalues --   -1.06356  -0.89573  -0.80149  -0.73509  -0.68438
 Alpha  occ. eigenvalues --   -0.65374  -0.63795  -0.60255  -0.59137  -0.56827
 Alpha  occ. eigenvalues --   -0.55673  -0.53009  -0.50004  -0.46508  -0.43986
 Alpha  occ. eigenvalues --   -0.43764  -0.41029  -0.37953
 Alpha virt. eigenvalues --   -0.02081  -0.00325   0.00207   0.00413   0.02387
 Alpha virt. eigenvalues --    0.02748   0.02948   0.04934   0.05591   0.07762
 Alpha virt. eigenvalues --    0.08259   0.08558   0.09194   0.09694   0.09966
 Alpha virt. eigenvalues --    0.11309   0.12199   0.12603   0.13626   0.14891
 Alpha virt. eigenvalues --    0.15316   0.16391   0.17950   0.18443   0.20189
 Alpha virt. eigenvalues --    0.21264   0.22389   0.22985   0.23573   0.23995
 Alpha virt. eigenvalues --    0.25140   0.25452   0.26408   0.27122   0.28080
 Alpha virt. eigenvalues --    0.28554   0.29207   0.29754   0.31464   0.32351
 Alpha virt. eigenvalues --    0.32916   0.35061   0.35605   0.36217   0.36818
 Alpha virt. eigenvalues --    0.38855   0.39409   0.39870   0.41952   0.42217
 Alpha virt. eigenvalues --    0.42789   0.43657   0.45621   0.46163   0.47413
 Alpha virt. eigenvalues --    0.48261   0.48737   0.50629   0.50739   0.52054
 Alpha virt. eigenvalues --    0.52959   0.53632   0.55795   0.57082   0.57498
 Alpha virt. eigenvalues --    0.58304   0.59843   0.60527   0.62054   0.62654
 Alpha virt. eigenvalues --    0.63035   0.65187   0.66108   0.68329   0.68413
 Alpha virt. eigenvalues --    0.69803   0.71232   0.72133   0.72953   0.73892
 Alpha virt. eigenvalues --    0.75233   0.77953   0.80096   0.81269   0.82308
 Alpha virt. eigenvalues --    0.83192   0.84337   0.86003   0.87240   0.90671
 Alpha virt. eigenvalues --    0.91102   0.93834   0.95245   0.96939   0.99062
 Alpha virt. eigenvalues --    1.00184   1.02363   1.04151   1.05094   1.09176
 Alpha virt. eigenvalues --    1.10527   1.11602   1.12597   1.15950   1.16524
 Alpha virt. eigenvalues --    1.19131   1.20783   1.21273   1.22129   1.25727
 Alpha virt. eigenvalues --    1.28273   1.30979   1.32025   1.33793   1.34145
 Alpha virt. eigenvalues --    1.38271   1.40573   1.44026   1.45954   1.50489
 Alpha virt. eigenvalues --    1.54024   1.55517   1.57664   1.60110   1.61670
 Alpha virt. eigenvalues --    1.62733   1.64497   1.65794   1.68735   1.70395
 Alpha virt. eigenvalues --    1.75440   1.79332   1.79941   1.82836   1.84352
 Alpha virt. eigenvalues --    1.87197   1.89152   1.90310   1.90611   1.94184
 Alpha virt. eigenvalues --    1.96077   2.00691   2.01706   2.04691   2.06551
 Alpha virt. eigenvalues --    2.08696   2.09748   2.11646   2.12661   2.16501
 Alpha virt. eigenvalues --    2.19906   2.21468   2.23890   2.25361   2.26572
 Alpha virt. eigenvalues --    2.29181   2.32937   2.34690   2.39244   2.40143
 Alpha virt. eigenvalues --    2.44133   2.48823   2.51005   2.55658   2.57452
 Alpha virt. eigenvalues --    2.61279   2.64286   2.67552   2.68905   2.71822
 Alpha virt. eigenvalues --    2.80268   2.81529   2.85961   2.87936   2.95397
 Alpha virt. eigenvalues --    3.02959   3.07643   3.15098   3.27327   3.32276
 Alpha virt. eigenvalues --    3.39594   3.44172   3.45665   3.48056   3.49605
 Alpha virt. eigenvalues --    3.50146   3.51331   3.53843   3.56828   3.62345
 Alpha virt. eigenvalues --    3.63877   3.67767   3.76924   3.85090   3.99987
 Alpha virt. eigenvalues --    4.00911
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.650373   0.308245  -0.300481  -0.009262   0.314112  -0.113726
     2  C    0.308245   6.770027  -1.018627   0.098875  -0.098865   0.236276
     3  C   -0.300481  -1.018627   6.713693   0.099246  -0.002923  -0.019289
     4  O   -0.009262   0.098875   0.099246   7.854390   0.000420  -0.018224
     5  O    0.314112  -0.098865  -0.002923   0.000420   7.938748   0.014339
     6  N   -0.113726   0.236276  -0.019289  -0.018224   0.014339   6.274481
     7  O    0.031651  -0.043782   0.619786  -0.065525   0.001875  -0.014161
     8  H    0.052292  -0.235317  -0.090152   0.014089   0.002818   0.059424
     9  H    0.024415   0.014566  -0.034237   0.005055   0.031814   0.034984
    10  H    0.206367   0.038995  -0.017110   0.003738  -0.186583  -0.007048
    11  H    0.004983  -0.083374  -0.066384   0.268084  -0.000997   0.037063
    12  H   -0.105370  -0.138718   0.064732  -0.005281   0.022277   0.400618
    13  H   -0.007230   0.161877  -0.060594   0.004855  -0.004594   0.181292
    14  H   -0.056577   0.042621  -0.030407   0.003333   0.307377  -0.012581
               7          8          9         10         11         12
     1  C    0.031651   0.052292   0.024415   0.206367   0.004983  -0.105370
     2  C   -0.043782  -0.235317   0.014566   0.038995  -0.083374  -0.138718
     3  C    0.619786  -0.090152  -0.034237  -0.017110  -0.066384   0.064732
     4  O   -0.065525   0.014089   0.005055   0.003738   0.268084  -0.005281
     5  O    0.001875   0.002818   0.031814  -0.186583  -0.000997   0.022277
     6  N   -0.014161   0.059424   0.034984  -0.007048   0.037063   0.400618
     7  O    7.687518   0.002683  -0.011243   0.006569   0.016167   0.000278
     8  H    0.002683   1.472351  -0.008306  -0.073515  -0.003209   0.045110
     9  H   -0.011243  -0.008306   1.738093  -0.488815  -0.000727   0.005529
    10  H    0.006569  -0.073515  -0.488815   1.745958  -0.000835  -0.022798
    11  H    0.016167  -0.003209  -0.000727  -0.000835   0.659640  -0.001520
    12  H    0.000278   0.045110   0.005529  -0.022798  -0.001520   0.817745
    13  H    0.001772  -0.099214  -0.000047  -0.002317   0.003899  -0.144432
    14  H    0.012826   0.005143  -0.080252   0.056699  -0.000559  -0.002883
              13         14
     1  C   -0.007230  -0.056577
     2  C    0.161877   0.042621
     3  C   -0.060594  -0.030407
     4  O    0.004855   0.003333
     5  O   -0.004594   0.307377
     6  N    0.181292  -0.012581
     7  O    0.001772   0.012826
     8  H   -0.099214   0.005143
     9  H   -0.000047  -0.080252
    10  H   -0.002317   0.056699
    11  H    0.003899  -0.000559
    12  H   -0.144432  -0.002883
    13  H    0.913205   0.000087
    14  H    0.000087   0.601450
 Mulliken charges:
               1
     1  C    1.000210
     2  C   -0.052800
     3  C    0.142746
     4  O   -0.253794
     5  O   -0.339817
     6  N   -0.053448
     7  O   -0.246416
     8  H   -0.144197
     9  H   -0.230828
    10  H   -0.259304
    11  H    0.167770
    12  H    0.064712
    13  H    0.051442
    14  H    0.153724
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.510078
     2  C   -0.196997
     3  C    0.142746
     4  O   -0.086024
     5  O   -0.186093
     6  N    0.062705
     7  O   -0.246416
 Electronic spatial extent (au):  <R**2>=            734.8722
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.2299    Y=              3.3682    Z=              1.5054  Tot=              4.3108
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -49.1134   YY=            -40.7923   ZZ=            -39.5331
   XY=              1.9863   XZ=             -1.9229   YZ=              2.1684
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.9671   YY=              2.3539   ZZ=              3.6132
   XY=              1.9863   XZ=             -1.9229   YZ=              2.1684
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.2588  YYY=             12.9291  ZZZ=             -2.1339  XYY=            -11.1965
  XXY=              7.7481  XXZ=              7.9660  XZZ=              0.7127  YZZ=              0.6023
  YYZ=             -3.7644  XYZ=             -0.3153
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -508.9998 YYYY=           -297.0452 ZZZZ=           -117.6180 XXXY=             -0.6187
 XXXZ=             -9.9894 YYYX=              4.2830 YYYZ=             14.0485 ZZZX=              3.5471
 ZZZY=              4.4955 XXYY=           -125.8452 XXZZ=           -102.8985 YYZZ=            -62.3865
 XXYZ=             -3.1611 YYXZ=             -0.1227 ZZXY=              1.4484
 N-N= 3.289801627738D+02 E-N=-1.592539470192D+03  KE= 3.960891832666D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:11:25 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-8.37095371D-01 1.30233030D+00 5.19226124D-01
 Polarizability= 5.58131470D+01-7.12501009D-02 5.98544758D+01
                -3.02624471D+00-9.63500321D-01 4.73939377D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.5140    1.5126        0.1090    0.1111
 2     -1.5140   -1.5126        0.6016    0.6033        1.7963    1.7961
 3     -0.1090   -0.1111        4.7459    4.7456       -0.6028   -0.6033
 4     -0.6016   -0.6033        0.0000    0.0000       -0.1093   -0.1111
 5     -6.5422   -6.5418        0.1093    0.1111        1.5135    1.5126
 6      0.6028    0.6033       -1.5135   -1.5126        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.5377   -4.5377        0.3333    0.3333
 2     -1.8100   -1.8100        0.0000    0.0000        0.3333    0.3333
 3     -1.8100   -1.8100       -4.5377   -4.5377        0.0000    0.0000
 4     -4.5377   -4.5377        1.8100    1.8100        5.3884    5.3884
 5     -0.3333   -0.3333       14.2369   14.2369       -1.8100   -1.8100
 6    -19.6253  -19.6253        0.3333    0.3333        4.5377    4.5377
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2716    0.0000       -5.9449   -6.0503       -0.6439   -0.4444
 2      6.0000    6.0503       -2.5702   -2.4133       -7.2869   -7.1846
 3      0.4269    0.4444      -19.1309  -18.9825        2.1355    2.4133
 4      2.3914    2.4133       -0.0213    0.0000        0.6093    0.4444
 5     26.1559   26.1671       -0.4865   -0.4444       -6.0031   -6.0503
 6     -2.2578   -2.4133        6.0277    6.0503        0.0773    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0712    0.0000        4.5158    4.6026        4.9474    5.0265
 2     -4.7809   -4.6026      -15.2346  -14.9240       11.6269   11.6598
 3     -4.8384   -5.0265        2.6585    2.6112       14.6003   14.9240
 4     14.5666   14.9240       -0.0817    0.0000       -5.0064   -5.0265
 5    -14.1119  -14.2710        5.2654    5.0265        4.0532    4.6026
 6    -14.8621  -14.9240       -4.6991   -4.6026       -0.0737    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      6.0938    6.1484       -4.9727   -4.4967      -12.0045  -11.9562
 2     25.9667   25.9717       -2.0535   -1.7629      -12.2185  -11.9562
 3     25.9699   25.9717       -4.6630   -4.4967      -15.1794  -15.1126
 4     -2.9584   -2.7338      -20.0296  -19.8233        6.6600    6.5572
 5     -2.5290   -3.1564       14.0519   13.6768       19.6104   19.8233
 6    -19.9617  -20.2340        3.5647    3.1564        1.7327    2.7338
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.0346   -0.0004    0.0007    0.0008    3.4271    4.8854
 Low frequencies ---   63.1900  107.0311  220.3022
 Diagonal vibrational polarizability:
       48.3094914      33.5599054      29.5400575
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     63.1892               107.0308               220.3022
 Red. masses --      6.2061                 4.8579                 4.3242
 Frc consts  --      0.0146                 0.0328                 0.1236
 IR Inten    --      5.4443                 7.0986                 3.3426
 RamAct Fr= 1--      0.7788                 0.2885                 0.4392
  Dep-P Fr= 1--      0.7489                 0.6811                 0.1508
  Dep-U Fr= 1--      0.8564                 0.8103                 0.2621
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0068
 Beta2  Fr= 1--      0.1112                 0.0390                 0.0192
 AlphaG Fr= 1--      0.0002                -0.0015                 0.0068
 Gamma2 Fr= 1--      0.3367                -0.0091                 0.0310
 Delta2 Fr= 1--      0.2024                 0.0247                -0.0273
 Raman1 Fr= 1--       3.115                  1.154                  1.757
 ROA1   Fr= 1--      38.800                 -0.085                  2.098
 CID1   Fr= 1--      12.456                 -0.074                  1.194
 Raman2 Fr= 1--       1.334                  0.467                  0.230
 ROA2   Fr= 1--       6.462                 -0.416                  0.962
 CID2   Fr= 1--       4.845                 -0.889                  4.178
 Raman3 Fr= 1--       2.668                  0.935                  0.460
 ROA3   Fr= 1--      38.800                 -0.085                  2.098
 CID3   Fr= 1--      14.544                 -0.091                  4.556
 RC180  Fr= 1--       0.713                  0.621                 -0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.08  -0.08    -0.02   0.08  -0.04     0.11  -0.08   0.11
     2   6    -0.00  -0.07   0.04    -0.01   0.05   0.08     0.02   0.04   0.11
     3   6     0.03  -0.03   0.06    -0.08   0.01  -0.01    -0.05   0.00   0.04
     4   8    -0.15  -0.05  -0.26    -0.14  -0.05  -0.19    -0.05  -0.04  -0.01
     5   8    -0.03   0.24  -0.14     0.28  -0.20  -0.05     0.27   0.19   0.01
     6   7    -0.03  -0.04   0.09     0.06   0.11   0.18    -0.16  -0.10  -0.13
     7   8     0.20  -0.00   0.33    -0.12   0.01   0.02    -0.15  -0.01  -0.06
     8   1    -0.06  -0.13   0.06    -0.02  -0.04   0.10     0.08   0.20   0.07
     9   1     0.06  -0.21  -0.29    -0.18   0.20   0.17     0.21  -0.19  -0.09
    10   1     0.01  -0.18   0.08    -0.08   0.19  -0.34     0.02  -0.25   0.19
    11   1    -0.23  -0.07  -0.30    -0.08  -0.02  -0.10    -0.03  -0.04  -0.04
    12   1    -0.19   0.03   0.18     0.06   0.24   0.18    -0.15  -0.40  -0.12
    13   1     0.14  -0.02   0.19     0.14   0.10   0.26    -0.31  -0.05  -0.30
    14   1    -0.12   0.24  -0.32     0.40  -0.21   0.22     0.28   0.23  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    296.1839               347.7861               369.7117
 Red. masses --      3.1753                 1.1547                 2.7592
 Frc consts  --      0.1641                 0.0823                 0.2222
 IR Inten    --     22.6250                31.4443                14.3068
 RamAct Fr= 1--      0.3811                 0.2836                 0.4909
  Dep-P Fr= 1--      0.6060                 0.5111                 0.1448
  Dep-U Fr= 1--      0.7546                 0.6765                 0.2530
 Alpha2 Fr= 1--      0.0010                 0.0013                 0.0077
 Beta2  Fr= 1--      0.0479                 0.0320                 0.0207
 AlphaG Fr= 1--      0.0009                 0.0036                 0.0064
 Gamma2 Fr= 1--      0.0109                -0.1965                -0.1206
 Delta2 Fr= 1--     -0.0448                -0.0370                -0.0490
 Raman1 Fr= 1--       1.524                  1.134                  1.963
 ROA1   Fr= 1--      -0.391                -20.051                -13.145
 CID1   Fr= 1--      -0.256                -17.674                 -6.695
 Raman2 Fr= 1--       0.575                  0.384                  0.248
 ROA2   Fr= 1--       0.619                 -4.421                 -2.502
 CID2   Fr= 1--       1.077                -11.520                -10.072
 Raman3 Fr= 1--       1.150                  0.767                  0.497
 ROA3   Fr= 1--      -0.391                -20.051                -13.145
 CID3   Fr= 1--      -0.340                -26.126                -26.464
 RC180  Fr= 1--       0.509                  0.353                 -0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.15   0.03    -0.01   0.02   0.01     0.06  -0.12  -0.01
     2   6    -0.02  -0.08   0.08    -0.00  -0.00  -0.02    -0.02   0.02   0.03
     3   6     0.00  -0.06   0.02     0.00  -0.02  -0.01    -0.04   0.02   0.06
     4   8    -0.14   0.12   0.02     0.00   0.01   0.05    -0.15   0.10   0.02
     5   8     0.06   0.05   0.01     0.02  -0.00   0.01    -0.05  -0.04   0.00
     6   7     0.07  -0.15  -0.06    -0.05  -0.01  -0.05     0.24  -0.02  -0.07
     7   8     0.16  -0.07  -0.07     0.01  -0.03  -0.01    -0.07   0.01  -0.01
     8   1    -0.00  -0.01   0.06     0.03   0.01  -0.03    -0.10   0.06   0.04
     9   1    -0.46   0.22   0.17    -0.03   0.03   0.03     0.35  -0.18  -0.13
    10   1    -0.06   0.40  -0.20    -0.01   0.04  -0.02    -0.03  -0.36   0.17
    11   1    -0.32   0.07   0.10    -0.14  -0.04  -0.14    -0.30   0.07   0.08
    12   1     0.18  -0.28  -0.13    -0.56   0.19   0.27     0.25   0.06  -0.08
    13   1    -0.02  -0.08  -0.22     0.63   0.15   0.19     0.45   0.15  -0.14
    14   1     0.01  -0.05   0.19     0.18   0.12  -0.02     0.16   0.18  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    434.3827               515.5298               555.9972
 Red. masses --      1.1139                 4.3674                 4.2876
 Frc consts  --      0.1238                 0.6839                 0.7809
 IR Inten    --    104.7658                 3.4806                 6.6452
 RamAct Fr= 1--      0.7949                 2.1729                 2.8688
  Dep-P Fr= 1--      0.7500                 0.7080                 0.1053
  Dep-U Fr= 1--      0.8571                 0.8290                 0.1905
 Alpha2 Fr= 1--      0.0000                 0.0016                 0.0496
 Beta2  Fr= 1--      0.1136                 0.3002                 0.0911
 AlphaG Fr= 1--      0.0000                -0.0094                 0.0147
 Gamma2 Fr= 1--     -0.1587                -1.1189                 0.6839
 Delta2 Fr= 1--     -0.2580                 0.0645                 0.0975
 Raman1 Fr= 1--       3.180                  8.692                 11.475
 ROA1   Fr= 1--     -23.490               -105.354                 68.772
 CID1   Fr= 1--      -7.388                -12.121                  5.993
 Raman2 Fr= 1--       1.363                  3.603                  1.093
 ROA2   Fr= 1--      -1.745                -27.371                 15.633
 CID2   Fr= 1--      -1.281                 -7.597                 14.300
 Raman3 Fr= 1--       2.725                  7.206                  2.186
 ROA3   Fr= 1--     -23.490               -105.354                 68.772
 CID3   Fr= 1--      -8.619                -14.621                 31.454
 RC180  Fr= 1--       0.714                  0.658                 -0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00     0.04   0.01   0.06    -0.07  -0.02  -0.02
     2   6    -0.01   0.00   0.01    -0.08   0.07  -0.18    -0.11   0.18   0.19
     3   6     0.01   0.00   0.01    -0.12  -0.16  -0.11     0.05   0.02   0.24
     4   8     0.02  -0.03  -0.02    -0.13  -0.04   0.11    -0.00  -0.17  -0.05
     5   8    -0.05  -0.03   0.02     0.08   0.04   0.06    -0.04  -0.03  -0.04
     6   7    -0.01  -0.00   0.01    -0.03   0.24  -0.01    -0.02   0.10  -0.04
     7   8     0.02   0.00  -0.01     0.17  -0.16   0.01     0.17  -0.02  -0.18
     8   1    -0.02  -0.00   0.01     0.13   0.06  -0.22    -0.41   0.34   0.22
     9   1    -0.08   0.03   0.04     0.36  -0.02  -0.01     0.12  -0.06  -0.10
    10   1    -0.03   0.05  -0.06    -0.07  -0.24   0.19    -0.20  -0.23   0.02
    11   1     0.08  -0.01   0.02    -0.11  -0.03   0.23     0.22  -0.12  -0.09
    12   1     0.07  -0.05  -0.04     0.24   0.37  -0.19    -0.07   0.02   0.00
    13   1    -0.15  -0.04  -0.04    -0.34   0.02   0.06     0.18   0.29  -0.16
    14   1     0.71   0.61  -0.24     0.14   0.09   0.04    -0.21  -0.17   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    603.2116               773.3240               821.4572
 Red. masses --      4.4536                 6.1959                 2.6297
 Frc consts  --      0.9548                 2.1831                 1.0455
 IR Inten    --      5.6899                 7.0967                13.8269
 RamAct Fr= 1--      2.0928                 9.0237                 4.0519
  Dep-P Fr= 1--      0.6328                 0.0655                 0.0419
  Dep-U Fr= 1--      0.7751                 0.1230                 0.0805
 Alpha2 Fr= 1--      0.0045                 0.1718                 0.0816
 Beta2  Fr= 1--      0.2703                 0.1849                 0.0543
 AlphaG Fr= 1--     -0.0012                 0.0204                -0.1713
 Gamma2 Fr= 1--      0.6358                -0.1146                -0.0407
 Delta2 Fr= 1--     -0.2233                 0.0883                 0.0472
 Raman1 Fr= 1--       8.371                 36.095                 16.207
 ROA1   Fr= 1--      53.888                 -8.173                 -2.401
 CID1   Fr= 1--       6.437                 -0.226                 -0.148
 Raman2 Fr= 1--       3.244                  2.219                  0.652
 ROA2   Fr= 1--      17.045                 -3.457                 -1.356
 CID2   Fr= 1--       5.254                 -1.558                 -2.079
 Raman3 Fr= 1--       6.488                  4.438                  1.304
 ROA3   Fr= 1--      53.888                 -8.173                 -2.401
 CID3   Fr= 1--       8.305                 -1.842                 -1.841
 RC180  Fr= 1--       0.550                 -0.754                 -0.839
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.27   0.13  -0.14    -0.20  -0.10   0.07    -0.05   0.02   0.03
     2   6     0.21   0.05   0.04    -0.07  -0.01  -0.04     0.06   0.10   0.21
     3   6     0.11  -0.09   0.17     0.33  -0.15   0.12    -0.04  -0.07  -0.19
     4   8    -0.14   0.06   0.02     0.15   0.21  -0.15     0.07   0.05   0.04
     5   8    -0.12  -0.07  -0.04     0.05   0.04   0.02    -0.05  -0.05  -0.09
     6   7    -0.11   0.06  -0.00    -0.04   0.15  -0.03     0.03   0.06   0.00
     7   8    -0.06  -0.13  -0.03    -0.16  -0.22   0.04     0.00  -0.06   0.05
     8   1    -0.02   0.08   0.07    -0.20   0.21  -0.05     0.35  -0.00   0.17
     9   1     0.16   0.20  -0.03    -0.22  -0.13   0.03     0.08  -0.06  -0.12
    10   1     0.37   0.28  -0.16    -0.24  -0.14   0.06    -0.22  -0.21   0.03
    11   1    -0.31   0.01   0.11    -0.34   0.09   0.17    -0.29  -0.08  -0.45
    12   1    -0.25  -0.16   0.10     0.17   0.33  -0.18    -0.12  -0.40   0.12
    13   1    -0.36  -0.11   0.06    -0.00   0.14  -0.00    -0.17   0.16  -0.25
    14   1    -0.06   0.01  -0.18     0.01  -0.02   0.12     0.02  -0.03  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    861.6314               882.8379               937.9882
 Red. masses --      1.6808                 1.5180                 1.2996
 Frc consts  --      0.7352                 0.6971                 0.6737
 IR Inten    --     96.1183                55.0206                71.5987
 RamAct Fr= 1--      0.9866                 4.4351                 1.7391
  Dep-P Fr= 1--      0.7269                 0.3297                 0.1386
  Dep-U Fr= 1--      0.8419                 0.4959                 0.2435
 Alpha2 Fr= 1--      0.0004                 0.0415                 0.0277
 Beta2  Fr= 1--      0.1384                 0.3666                 0.0706
 AlphaG Fr= 1--      0.0076                 0.0569                 0.0210
 Gamma2 Fr= 1--     -0.6247                -0.1726                -0.2721
 Delta2 Fr= 1--     -0.0692                 0.1144                -0.0799
 Raman1 Fr= 1--       3.946                 17.740                  6.957
 ROA1   Fr= 1--     -62.190                -12.910                -28.679
 CID1   Fr= 1--     -15.759                 -0.728                 -4.123
 Raman2 Fr= 1--       1.661                  4.399                  0.847
 ROA2   Fr= 1--     -14.440                 -5.058                 -5.891
 CID2   Fr= 1--      -8.693                 -1.150                 -6.955
 Raman3 Fr= 1--       3.322                  8.797                  1.694
 ROA3   Fr= 1--     -62.190                -12.910                -28.679
 CID3   Fr= 1--     -18.720                 -1.467                -16.928
 RC180  Fr= 1--       0.684                 -0.008                 -0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08  -0.02    -0.05  -0.08   0.04    -0.04   0.11  -0.02
     2   6    -0.05   0.08   0.04     0.09  -0.02   0.05    -0.04  -0.01  -0.03
     3   6    -0.00  -0.04  -0.08    -0.02   0.00  -0.02     0.01  -0.00   0.02
     4   8     0.02   0.03  -0.04    -0.04  -0.01  -0.02     0.01   0.02  -0.03
     5   8    -0.02  -0.02  -0.01    -0.01  -0.00  -0.03     0.01  -0.01   0.00
     6   7    -0.08  -0.11   0.05     0.03   0.08  -0.08     0.07  -0.03  -0.02
     7   8     0.00  -0.04   0.04     0.01   0.01   0.02    -0.01  -0.01   0.00
     8   1    -0.07   0.04   0.05     0.23   0.04   0.02    -0.13  -0.08   0.00
     9   1     0.24   0.06  -0.07    -0.29  -0.09   0.06     0.40   0.03  -0.18
    10   1    -0.02  -0.06   0.05    -0.00   0.06  -0.10    -0.19  -0.26   0.25
    11   1     0.24   0.14   0.69     0.37   0.15   0.69     0.12   0.06   0.15
    12   1     0.21   0.00  -0.13    -0.32  -0.05   0.15    -0.39  -0.18   0.27
    13   1     0.40   0.27  -0.15    -0.05  -0.06   0.06    -0.27  -0.34   0.19
    14   1     0.03  -0.00   0.03    -0.05  -0.01  -0.09     0.10  -0.04   0.24
                     16                     17                     18
                      A                      A                      A
 Frequencies --    989.0197              1083.3586              1103.3671
 Red. masses --      2.5433                 1.8270                 2.7186
 Frc consts  --      1.4657                 1.2634                 1.9500
 IR Inten    --     80.8867                18.5533                62.1767
 RamAct Fr= 1--      3.4923                 2.3547                 2.5259
  Dep-P Fr= 1--      0.7495                 0.5170                 0.4321
  Dep-U Fr= 1--      0.8568                 0.6816                 0.6034
 Alpha2 Fr= 1--      0.0000                 0.0107                 0.0166
 Beta2  Fr= 1--      0.4987                 0.2675                 0.2540
 AlphaG Fr= 1--     -0.0005                -0.0153                 0.0079
 Gamma2 Fr= 1--      0.3548                 0.1515                 0.1569
 Delta2 Fr= 1--      0.0902                -0.4960                 0.1278
 Raman1 Fr= 1--      13.969                  9.419                 10.104
 ROA1   Fr= 1--      36.953                 -1.325                 19.156
 CID1   Fr= 1--       2.645                 -0.141                  1.896
 Raman2 Fr= 1--       5.985                  3.210                  3.048
 ROA2   Fr= 1--       7.794                  7.605                  2.744
 CID2   Fr= 1--       1.302                  2.369                  0.900
 Raman3 Fr= 1--      11.969                  6.420                  6.097
 ROA3   Fr= 1--      36.953                 -1.325                 19.156
 CID3   Fr= 1--       3.087                 -0.206                  3.142
 RC180  Fr= 1--       0.714                  0.363                  0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05  -0.17     0.09  -0.02   0.13     0.11   0.07   0.19
     2   6    -0.13  -0.05   0.09    -0.10   0.09  -0.01    -0.11  -0.19   0.04
     3   6    -0.05  -0.03  -0.09    -0.06  -0.03  -0.00     0.01   0.01  -0.01
     4   8     0.05   0.03  -0.02     0.04   0.04  -0.02     0.01  -0.01  -0.01
     5   8     0.04   0.03   0.17    -0.01  -0.01  -0.08    -0.03  -0.02  -0.16
     6   7     0.05   0.08  -0.05     0.06  -0.07   0.01     0.00   0.11  -0.05
     7   8     0.00  -0.03   0.02     0.01  -0.04   0.00    -0.01   0.02   0.00
     8   1    -0.59  -0.28   0.21    -0.15   0.42  -0.06    -0.38  -0.44   0.14
     9   1    -0.11   0.09   0.09    -0.03   0.15   0.42     0.06   0.03   0.13
    10   1     0.15   0.14  -0.30     0.01   0.11  -0.24     0.32   0.22   0.38
    11   1     0.04   0.02   0.04     0.06   0.03  -0.07     0.01  -0.00   0.03
    12   1    -0.23  -0.18   0.14    -0.11   0.11   0.10    -0.01  -0.02  -0.04
    13   1    -0.12   0.08  -0.14    -0.15  -0.35   0.26     0.02   0.24  -0.19
    14   1    -0.17   0.05  -0.24    -0.16   0.01  -0.41     0.17  -0.04   0.22
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1180.1003              1215.7691              1234.6811
 Red. masses --      1.3297                 2.5575                 1.5549
 Frc consts  --      1.0911                 2.2273                 1.3965
 IR Inten    --      3.5797                18.7585                12.9616
 RamAct Fr= 1--      1.7955                 4.3317                 2.1922
  Dep-P Fr= 1--      0.7288                 0.4342                 0.7421
  Dep-U Fr= 1--      0.8431                 0.6055                 0.8519
 Alpha2 Fr= 1--      0.0007                 0.0283                 0.0003
 Beta2  Fr= 1--      0.2523                 0.4371                 0.3113
 AlphaG Fr= 1--     -0.0042                 0.0254                -0.0019
 Gamma2 Fr= 1--      1.3897                -1.5118                 0.0924
 Delta2 Fr= 1--     -0.2042                -0.2289                 0.5904
 Raman1 Fr= 1--       7.182                 17.327                  8.769
 ROA1   Fr= 1--     126.877               -152.454                 27.760
 CID1   Fr= 1--      17.666                 -8.799                  3.166
 Raman2 Fr= 1--       3.028                  5.246                  3.735
 ROA2   Fr= 1--      34.986                -34.451                 -2.506
 CID2   Fr= 1--      11.556                 -6.568                 -0.671
 Raman3 Fr= 1--       6.055                 10.491                  7.471
 ROA3   Fr= 1--     126.877               -152.454                 27.760
 CID3   Fr= 1--      20.954                -14.532                  3.716
 RC180  Fr= 1--       0.686                  0.211                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05    -0.01  -0.01   0.02    -0.01  -0.09   0.01
     2   6     0.03  -0.05   0.10    -0.01   0.03   0.02     0.04   0.14  -0.10
     3   6    -0.07  -0.01  -0.03     0.24   0.02  -0.19    -0.03  -0.01  -0.01
     4   8     0.03   0.02  -0.00    -0.08  -0.12   0.07    -0.01   0.02   0.00
     5   8    -0.01  -0.01   0.01    -0.00   0.01  -0.01    -0.01   0.01  -0.02
     6   7    -0.01  -0.01  -0.05     0.01  -0.02   0.01     0.03  -0.02   0.06
     7   8     0.01  -0.01   0.01    -0.02   0.09   0.01     0.01  -0.04   0.00
     8   1    -0.15   0.45   0.05    -0.46   0.37   0.04    -0.42   0.05   0.00
     9   1    -0.16  -0.16  -0.31    -0.04   0.02   0.07    -0.29  -0.17  -0.10
    10   1     0.18   0.07   0.20    -0.03  -0.01  -0.03     0.35   0.26   0.24
    11   1     0.07   0.02  -0.09    -0.56  -0.20   0.32     0.09   0.03  -0.06
    12   1     0.13   0.45  -0.17    -0.05   0.06   0.03    -0.12  -0.35   0.17
    13   1    -0.02  -0.26   0.27    -0.12  -0.15   0.10     0.00   0.10  -0.13
    14   1     0.14  -0.01   0.30     0.02  -0.00   0.06     0.18  -0.02   0.41
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1304.5257              1381.2243              1397.0290
 Red. masses --      1.6229                 1.2855                 1.2898
 Frc consts  --      1.6272                 1.4449                 1.4831
 IR Inten    --      6.4158                18.2652                42.6163
 RamAct Fr= 1--      5.9495                 5.2320                 0.6899
  Dep-P Fr= 1--      0.4738                 0.7477                 0.7453
  Dep-U Fr= 1--      0.6429                 0.8556                 0.8540
 Alpha2 Fr= 1--      0.0330                 0.0002                 0.0001
 Beta2  Fr= 1--      0.6375                 0.7461                 0.0982
 AlphaG Fr= 1--     -0.0322                -0.0014                 0.0010
 Gamma2 Fr= 1--     -0.8598                 0.7809                 0.3333
 Delta2 Fr= 1--     -0.7015                -1.3564                 0.5418
 Raman1 Fr= 1--      23.798                 20.928                  2.760
 ROA1   Fr= 1--    -104.991                 31.567                 49.330
 CID1   Fr= 1--      -4.412                  1.508                 17.875
 Raman2 Fr= 1--       7.650                  8.953                  1.178
 ROA2   Fr= 1--     -15.024                 29.594                  3.664
 CID2   Fr= 1--      -1.964                  3.305                  3.109
 Raman3 Fr= 1--      15.301                 17.906                  2.357
 ROA3   Fr= 1--    -104.991                 31.567                 49.330
 CID3   Fr= 1--      -6.862                  1.763                 20.930
 RC180  Fr= 1--       0.286                  0.711                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.01  -0.04    -0.02   0.07   0.02    -0.08  -0.07  -0.07
     2   6    -0.20   0.02   0.01    -0.00  -0.09  -0.04     0.01  -0.05   0.02
     3   6     0.05   0.00   0.03    -0.01  -0.01   0.00    -0.04   0.00   0.01
     4   8     0.01  -0.02  -0.01     0.00   0.00  -0.00     0.03  -0.00  -0.01
     5   8    -0.02   0.00   0.01     0.04  -0.04   0.02     0.00   0.02  -0.02
     6   7     0.04  -0.00   0.01     0.01   0.02   0.05    -0.00   0.01   0.02
     7   8    -0.00   0.01  -0.01    -0.00   0.01  -0.00     0.01   0.01  -0.00
     8   1     0.72   0.09  -0.18    -0.08   0.54  -0.14     0.15   0.33  -0.07
     9   1    -0.29  -0.14  -0.22    -0.09  -0.14  -0.32     0.54   0.28   0.43
    10   1     0.21   0.11   0.02     0.07   0.05   0.28     0.29   0.28   0.15
    11   1    -0.20  -0.06   0.14     0.02   0.01   0.00    -0.20  -0.06   0.12
    12   1    -0.12  -0.07   0.11    -0.07  -0.25   0.12    -0.03  -0.07   0.04
    13   1    -0.09   0.01  -0.07     0.02   0.21  -0.19    -0.00   0.08  -0.07
    14   1     0.08  -0.02   0.24    -0.17   0.02  -0.50     0.06   0.00   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1403.0479              1424.0577              1494.1842
 Red. masses --      1.2986                 1.5290                 1.0835
 Frc consts  --      1.5062                 1.8269                 1.4253
 IR Inten    --    158.7730               238.1005                 6.9507
 RamAct Fr= 1--      2.2421                 2.7924                 5.4516
  Dep-P Fr= 1--      0.7114                 0.0729                 0.7092
  Dep-U Fr= 1--      0.8314                 0.1360                 0.8299
 Alpha2 Fr= 1--      0.0015                 0.0522                 0.0039
 Beta2  Fr= 1--      0.3107                 0.0633                 0.7540
 AlphaG Fr= 1--     -0.0021                -0.0252                -0.0058
 Gamma2 Fr= 1--      0.8693                 0.2702                 0.1792
 Delta2 Fr= 1--      0.6995                 0.2365                -0.0030
 Raman1 Fr= 1--       8.968                 11.170                 21.806
 ROA1   Fr= 1--     105.833                 33.509                 17.112
 CID1   Fr= 1--      11.801                  3.000                  0.785
 Raman2 Fr= 1--       3.728                  0.759                  9.048
 ROA2   Fr= 1--      15.266                  4.594                  4.326
 CID2   Fr= 1--       4.095                  6.049                  0.478
 Raman3 Fr= 1--       7.456                  1.519                 18.096
 ROA3   Fr= 1--     105.833                 33.509                 17.112
 CID3   Fr= 1--      14.194                 22.063                  0.946
 RC180  Fr= 1--       0.663                 -0.728                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.01  -0.01    -0.06  -0.01  -0.03     0.04   0.01  -0.07
     2   6    -0.02  -0.09  -0.01    -0.05   0.05   0.04     0.01  -0.00  -0.00
     3   6     0.06   0.02  -0.03     0.12   0.02  -0.05    -0.01  -0.01   0.00
     4   8    -0.06   0.01   0.02    -0.08   0.01   0.04     0.00   0.00  -0.00
     5   8    -0.03   0.03  -0.00     0.03  -0.02   0.00     0.00   0.00  -0.01
     6   7     0.01   0.01   0.03     0.01  -0.02  -0.02    -0.00  -0.00   0.00
     7   8    -0.01  -0.03   0.01    -0.02  -0.04   0.01     0.00   0.00  -0.00
     8   1     0.00   0.41  -0.10     0.17  -0.18   0.05     0.01   0.04  -0.01
     9   1     0.06   0.07   0.14     0.14   0.05   0.04    -0.46   0.29   0.45
    10   1    -0.22  -0.17  -0.36     0.33   0.26   0.40    -0.07  -0.47   0.52
    11   1     0.50   0.16  -0.27     0.53   0.16  -0.31     0.00   0.00   0.00
    12   1    -0.04  -0.12   0.07     0.01   0.17  -0.04     0.00  -0.00   0.00
    13   1     0.03   0.17  -0.15    -0.03  -0.09   0.05     0.01   0.02  -0.02
    14   1     0.12  -0.01   0.36    -0.10   0.01  -0.29     0.01   0.00  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1654.2561              1828.2977              3038.4971
 Red. masses --      1.0927                 9.4761                 1.0772
 Frc consts  --      1.7618                18.6627                 5.8598
 IR Inten    --     36.9986               299.7617                 6.7302
 RamAct Fr= 1--      2.9646                10.6422                54.0564
  Dep-P Fr= 1--      0.6875                 0.2671                 0.6542
  Dep-U Fr= 1--      0.8148                 0.4216                 0.7909
 Alpha2 Fr= 1--      0.0033                 0.1202                 0.0928
 Beta2  Fr= 1--      0.4026                 0.7478                 7.1259
 AlphaG Fr= 1--     -0.0009                 0.0991                 0.0018
 Gamma2 Fr= 1--      0.3301                 0.4681                 1.1168
 Delta2 Fr= 1--     -0.0272                -0.1562                 1.1751
 Raman1 Fr= 1--      11.859                 42.569                216.226
 ROA1   Fr= 1--      30.824                 39.942                144.812
 CID1   Fr= 1--       2.599                  0.938                  0.670
 Raman2 Fr= 1--       4.831                  8.973                 85.511
 ROA2   Fr= 1--       8.140                 12.484                 17.402
 CID2   Fr= 1--       1.685                  1.391                  0.204
 Raman3 Fr= 1--       9.663                 17.946                171.022
 ROA3   Fr= 1--      30.824                 39.942                144.812
 CID3   Fr= 1--       3.190                  2.226                  0.847
 RC180  Fr= 1--       0.630                 -0.157                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.01   0.02   0.01    -0.02  -0.01   0.02
     2   6     0.03   0.00  -0.00     0.01  -0.04  -0.00    -0.01  -0.01  -0.07
     3   6    -0.01  -0.00   0.01    -0.04   0.71  -0.07     0.00  -0.00  -0.00
     4   8     0.00   0.00  -0.00     0.03  -0.06  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   7     0.03  -0.06   0.03     0.00  -0.01   0.00     0.00   0.00   0.00
     7   8     0.00   0.00  -0.00     0.03  -0.43   0.04     0.00   0.00  -0.00
     8   1    -0.03  -0.03   0.01     0.00   0.01  -0.01     0.16   0.15   0.86
     9   1     0.00  -0.01  -0.01    -0.06   0.02  -0.01    -0.02   0.29  -0.18
    10   1    -0.02  -0.01  -0.01    -0.08  -0.08   0.01     0.22  -0.17  -0.10
    11   1    -0.02  -0.01   0.03    -0.45  -0.08   0.24    -0.00  -0.00  -0.00
    12   1    -0.28   0.65   0.15    -0.00   0.03  -0.01    -0.01  -0.00  -0.01
    13   1    -0.34   0.22  -0.55    -0.02  -0.02  -0.00     0.00  -0.00  -0.01
    14   1    -0.00  -0.00   0.00    -0.04  -0.01  -0.08    -0.00   0.00   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3052.9221              3096.1255              3438.1170
 Red. masses --      1.0630                 1.1094                 1.0639
 Frc consts  --      5.8373                 6.2656                 7.4095
 IR Inten    --     38.6098                19.4046               254.3440
 RamAct Fr= 1--    183.8376                70.1367                66.9075
  Dep-P Fr= 1--      0.0235                 0.7224                 0.0742
  Dep-U Fr= 1--      0.0459                 0.8388                 0.1382
 Alpha2 Fr= 1--      3.8667                 0.0333                 1.2471
 Beta2  Fr= 1--      1.4049                 9.8055                 1.5412
 AlphaG Fr= 1--     -0.3239                 0.0972                 0.0411
 Gamma2 Fr= 1--     -1.0091                -0.7056                -1.1354
 Delta2 Fr= 1--     -2.5639                 2.0326                 0.5424
 Raman1 Fr= 1--     735.351                280.547                267.630
 ROA1   Fr= 1--    -178.921                 -2.695                -91.644
 CID1   Fr= 1--      -0.243                 -0.010                 -0.342
 Raman2 Fr= 1--      16.859                117.666                 18.495
 ROA2   Fr= 1--      -3.708                -33.195                -31.590
 CID2   Fr= 1--      -0.220                 -0.282                 -1.708
 Raman3 Fr= 1--      33.719                235.331                 36.990
 ROA3   Fr= 1--    -178.921                 -2.695                -91.644
 CID3   Fr= 1--      -5.306                 -0.011                 -2.478
 RC180  Fr= 1--      -0.908                  0.678                 -0.724
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.05    -0.05   0.08  -0.01     0.00  -0.00  -0.00
     2   6     0.01   0.01   0.04    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     4   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.02  -0.06   0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     6   7     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
     7   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   1    -0.08  -0.08  -0.43     0.00  -0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.04   0.58  -0.35     0.03  -0.55   0.34    -0.00  -0.01   0.00
    10   1     0.44  -0.34  -0.20     0.57  -0.42  -0.26     0.00   0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.26   0.95  -0.07
    12   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.07  -0.01  -0.11
    13   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.03   0.06   0.05
    14   1    -0.00   0.01   0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3484.1621              3577.8283              3781.8944
 Red. masses --      1.0524                 1.0910                 1.0661
 Frc consts  --      7.5268                 8.2281                 8.9838
 IR Inten    --      7.6458                13.3337                43.9343
 RamAct Fr= 1--     73.2401                59.9381                43.1800
  Dep-P Fr= 1--      0.0745                 0.4811                 0.1336
  Dep-U Fr= 1--      0.1387                 0.6496                 0.2356
 Alpha2 Fr= 1--      1.3641                 0.3225                 0.6958
 Beta2  Fr= 1--      1.6935                 6.4894                 1.6959
 AlphaG Fr= 1--     -0.0794                 0.2576                 0.2140
 Gamma2 Fr= 1--      1.0781                 1.8021                 1.3391
 Delta2 Fr= 1--      0.6514                -2.1246                 0.5046
 Raman1 Fr= 1--     292.960                239.753                172.720
 ROA1   Fr= 1--     124.342                105.019                144.701
 CID1   Fr= 1--       0.424                  0.438                  0.838
 Raman2 Fr= 1--      20.322                 77.873                 20.350
 ROA2   Fr= 1--      20.662                 60.248                 28.101
 CID2   Fr= 1--       1.017                  0.774                  1.381
 Raman3 Fr= 1--      40.645                155.747                 40.701
 ROA3   Fr= 1--     124.342                105.019                144.701
 CID3   Fr= 1--       3.059                  0.674                  3.555
 RC180  Fr= 1--      -0.723                  0.299                 -0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   8     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.03  -0.05  -0.02
     6   7    -0.04   0.02  -0.03     0.00  -0.05  -0.06     0.00   0.00   0.00
     7   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.01     0.00   0.00   0.01     0.00   0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.00
    10   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.01   0.00
    11   1    -0.04   0.15  -0.01     0.00  -0.02   0.00    -0.00   0.00   0.00
    12   1     0.45   0.06   0.74     0.26   0.02   0.38    -0.00  -0.00  -0.00
    13   1     0.15  -0.34  -0.27    -0.33   0.65   0.50     0.00  -0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.54   0.78   0.30

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   506.68189 760.814481041.61622
           X            0.99945   0.02814  -0.01731
           Y           -0.02800   0.99958   0.00801
           Z            0.01753  -0.00752   0.99982
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.17094     0.11384     0.08315
 Rotational constants (GHZ):           3.56188     2.37212     1.73264
 Zero-point vibrational energy     298785.5 (Joules/Mol)
                                   71.41144 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     90.92   153.99   316.97   426.14   500.39
          (Kelvin)            531.93   624.98   741.73   799.96   867.89
                             1112.64  1181.89  1239.70  1270.21  1349.56
                             1422.98  1558.71  1587.50  1697.90  1749.22
                             1776.43  1876.92  1987.27  2010.01  2018.67
                             2048.90  2149.80  2380.11  2630.51  4371.72
                             4392.47  4454.63  4946.68  5012.93  5147.70
                             5441.30
 
 Zero-point correction=                           0.113801 (Hartree/Particle)
 Thermal correction to Energy=                    0.121169
 Thermal correction to Enthalpy=                  0.122113
 Thermal correction to Gibbs Free Energy=         0.081993
 Sum of electronic and zero-point Energies=           -399.042925
 Sum of electronic and thermal Energies=              -399.035558
 Sum of electronic and thermal Enthalpies=            -399.034614
 Sum of electronic and thermal Free Energies=         -399.074734
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   76.034             26.353             84.439
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.487
 Vibrational             74.257             20.392             17.088
 Vibration     1          0.597              1.972              4.355
 Vibration     2          0.606              1.944              3.322
 Vibration     3          0.647              1.810              1.957
 Vibration     4          0.690              1.681              1.438
 Vibration     5          0.725              1.580              1.176
 Vibration     6          0.742              1.534              1.081
 Vibration     7          0.795              1.395              0.844
 Vibration     8          0.871              1.216              0.620
 Vibration     9          0.911              1.127              0.532
 Vibration    10          0.962              1.025              0.444
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.193178D-37        -37.714042        -86.839791
 Total V=0       0.427474D+15         14.630909         33.688913
 Vib (Bot)       0.201256D-50        -50.696251       -116.732431
 Vib (Bot)    1  0.326676D+01          0.514118          1.183799
 Vib (Bot)    2  0.191477D+01          0.282116          0.649596
 Vib (Bot)    3  0.897760D+00         -0.046840         -0.107853
 Vib (Bot)    4  0.643462D+00         -0.191477         -0.440893
 Vib (Bot)    5  0.531257D+00         -0.274695         -0.632509
 Vib (Bot)    6  0.492531D+00         -0.307566         -0.708197
 Vib (Bot)    7  0.399742D+00         -0.398220         -0.916935
 Vib (Bot)    8  0.314384D+00         -0.502540         -1.157141
 Vib (Bot)    9  0.280626D+00         -0.551871         -1.270731
 Vib (Bot)   10  0.246723D+00         -0.607791         -1.399490
 Vib (V=0)       0.445349D+02          1.648701          3.796274
 Vib (V=0)    1  0.380480D+01          0.580332          1.336265
 Vib (V=0)    2  0.247897D+01          0.394272          0.907845
 Vib (V=0)    3  0.152761D+01          0.184011          0.423701
 Vib (V=0)    4  0.131489D+01          0.118889          0.273752
 Vib (V=0)    5  0.122954D+01          0.089744          0.206643
 Vib (V=0)    6  0.120185D+01          0.079849          0.183858
 Vib (V=0)    7  0.114015D+01          0.056963          0.131161
 Vib (V=0)    8  0.109062D+01          0.037675          0.086750
 Vib (V=0)    9  0.107337D+01          0.030749          0.070802
 Vib (V=0)   10  0.105756D+01          0.024305          0.055963
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.226833D+06          5.355707         12.331970
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3      3  3 3          333                                        1     1    11111  1 111 11                                    
     7      5  4 4          000                                        8     6    44433  3 221 10  9 9 888 7    6 55  4 33 2 2   1   
     8      7  8 3          953                                        2     5    92098  0 318 08  8 3 862 7    0 51  3 74 9 2   06  
     2      8  4 8          638                                        8     4    44371  5 560 33  9 8 321 3    3 66  4 08 6 0   73  
 
     X      X  X X          XXX                                        X     X    XXXXX  X XXX XX  X X XXX X    X XX  X XX X X   XX  
     X           X           X                                         X     X     XXX         X   X X XX             X  X X         
     X           X           X                                         X           XXX         X   X X XX             X              
                 X                                                     X           XX          X   X X XX             X              
                 X                                                     X           XX              X X  X             X              
                 X                                                     X           XX                   X             X              
                 X                                                     X           XX                                 X              
                 X                                                     X           XX                                                
                 X                                                     X           XX                                                
                 X                                                     X           XX                                                
                 X                                                     X           XX                                                
                 X                                                     X           X                                                 
                 X                                                     X           X                                                 
                 X                                                     X           X                                                 
                 X                                                     X           X                                                 
                 X                                                     X           X                                                 
                 X                                                     X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000005347   -0.000015151   -0.000030963
      2        6           0.000024133   -0.000000624   -0.000022125
      3        6          -0.000009176    0.000035579    0.000003115
      4        8          -0.000017177    0.000012263    0.000001555
      5        8           0.000000892    0.000007850    0.000030094
      6        7          -0.000000930   -0.000007522   -0.000000191
      7        8           0.000004612   -0.000011958   -0.000000181
      8        1          -0.000007095   -0.000000484    0.000004012
      9        1           0.000001561   -0.000002852    0.000003600
     10        1          -0.000000409    0.000000258   -0.000004125
     11        1           0.000008091   -0.000021923    0.000003150
     12        1          -0.000000170    0.000002120    0.000006210
     13        1           0.000000967   -0.000000688    0.000000993
     14        1           0.000000048    0.000003131    0.000004857
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035579 RMS     0.000011981
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.612766D+02  0.222216D+00 -0.302516D+01
      2   0.222216D+00  0.648689D+02 -0.120663D+01
      3  -0.302516D+01 -0.120663D+01  0.517853D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.160812D+01  0.819594D+01 -0.564891D+01
      2  -0.132224D+02 -0.422177D+01 -0.136052D+02
      3   0.102516D+02 -0.131885D+01  0.291374D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.155168D+02 -0.595153D+01 -0.176505D+02
      2   0.108326D+02  0.136660D+02 -0.253792D+01
      3   0.468421D+01 -0.771442D+01  0.201884D+02
      4   0.151283D+02 -0.301474D+01 -0.913881D+01
      5   0.251559D+01 -0.103254D+02 -0.289864D+02
      6  -0.467360D+01  0.144718D+02  0.106316D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.465667D+00 -0.390348D+01 -0.123086D+01 -0.480998D+01  0.122687D+01
      2  -0.390348D+01 -0.218221D+00  0.169890D+01  0.122687D+01  0.166804D+01
      3  -0.123086D+01  0.169890D+01  0.988602D+00  0.144296D+01 -0.341690D+01
                 6             7             8             9            10 
      1   0.144296D+01 -0.229910D+01  0.132071D+01  0.266379D+01  0.728949D-01
      2  -0.341690D+01  0.132071D+01 -0.322040D+01  0.241688D+01  0.409326D+01
      3   0.181676D+01  0.266379D+01  0.241688D+01  0.106449D+01  0.340466D+00
                11            12            13            14            15 
      1   0.409326D+01  0.340466D+00  0.374325D+01 -0.900057D+00 -0.890459D+00
      2   0.216740D+00 -0.114418D+01 -0.900057D+00 -0.193221D+01  0.153633D+01
      3  -0.114418D+01 -0.146006D+01 -0.890459D+00  0.153633D+01 -0.111244D+01
                16            17            18            19            20 
      1   0.116561D+01 -0.164143D-01 -0.130379D+01  0.192020D+01 -0.229986D+01
      2  -0.164143D-01  0.140801D+01 -0.196371D+01 -0.229986D+01  0.460065D+00
      3  -0.130379D+01 -0.196371D+01 -0.605209D+01  0.118358D+00  0.726911D+00
                21            22            23            24            25 
      1   0.118358D+00 -0.127780D+01  0.185586D+00  0.997360D+00 -0.217369D+00
      2   0.726911D+00  0.185586D+00  0.582003D+01 -0.658030D+00  0.991240D+00
      3   0.750228D+00  0.997360D+00 -0.658030D+00  0.306247D+00  0.347403D+00
                26            27            28            29            30 
      1   0.991240D+00  0.347403D+00  0.704255D+01  0.996344D+00 -0.165867D+01
      2  -0.128687D+01  0.233219D+00  0.996344D+00  0.181380D+01 -0.340303D+00
      3   0.233219D+00  0.297120D+00 -0.165867D+01 -0.340303D+00  0.117244D+01
                31            32            33            34            35 
      1  -0.209578D+01  0.321297D+01  0.312167D+00 -0.153178D+01 -0.384667D+00
      2   0.321297D+01 -0.214331D+01 -0.537634D+00 -0.384667D+00  0.770301D-01
      3   0.312167D+00 -0.537634D+00  0.107247D+00  0.205531D+01  0.888651D+00
                36            37            38            39            40 
      1   0.205531D+01 -0.310211D+01  0.406091D+00 -0.149882D+01  0.174809D+01
      2   0.888651D+00  0.406091D+00 -0.179509D+01 -0.105607D+01 -0.170415D+01
      3  -0.233588D+01 -0.149882D+01 -0.105607D+01 -0.191539D+01 -0.951395D+00
                41            42            43            44            45 
      1  -0.170415D+01 -0.951395D+00 -0.100614D+01 -0.148241D+01 -0.295105D+01
      2   0.177386D+01  0.368811D+00 -0.148241D+01  0.415749D+00 -0.812739D+00
      3   0.368811D+00  0.129809D+01 -0.295105D+01 -0.812739D+00 -0.377310D+01
                46            47            48            49            50 
      1   0.907285D+00 -0.917328D+00  0.539571D+00 -0.756884D+00  0.282900D+01
      2  -0.917328D+00  0.290260D+01  0.570168D+00  0.282900D+01  0.257403D+01
      3   0.539571D+00  0.570168D+00  0.253663D+01  0.651763D+00 -0.268339D+01
                51            52            53            54            55 
      1   0.651763D+00  0.568836D+00  0.709646D+00  0.251617D+01  0.424826D+00
      2  -0.268339D+01  0.709646D+00 -0.302357D+01  0.245206D+00 -0.279167D+01
      3   0.245679D+00  0.251617D+01  0.245206D+00  0.132141D+01  0.356972D+00
                56            57            58            59            60 
      1  -0.279167D+01  0.356972D+00 -0.320029D+01  0.949003D+00 -0.226330D+00
      2   0.135001D+01 -0.508686D+00  0.949003D+00 -0.133665D+02  0.922824D+00
      3  -0.508686D+00 -0.438492D-01 -0.226330D+00  0.922824D+00 -0.234736D+01
                61            62            63            64            65 
      1   0.617165D+00 -0.365848D+00  0.348948D+00  0.624501D+00 -0.179306D+00
      2  -0.365848D+00  0.621867D+00 -0.300656D+01 -0.179306D+00  0.350089D+00
      3   0.348948D+00 -0.300656D+01  0.814103D+00  0.145222D+01  0.447915D+00
                66            67            68            69            70 
      1   0.145222D+01 -0.316916D+00  0.349547D+00  0.393227D+00  0.161807D+01
      2   0.447915D+00  0.349547D+00  0.144282D+01  0.134837D+01  0.140434D+00
      3   0.103558D+01  0.393227D+00  0.134837D+01  0.106846D+01  0.929622D+00
                71            72            73            74            75 
      1   0.140434D+00  0.929622D+00  0.121500D+00 -0.629870D+00  0.936196D+00
      2   0.170519D+01  0.163540D+01 -0.629870D+00 -0.395131D+00 -0.258363D-01
      3   0.163540D+01  0.898300D+01  0.936196D+00 -0.258363D-01  0.433194D-01
                76            77            78            79            80 
      1  -0.122313D+01 -0.122834D+01  0.400042D+00  0.110080D+01  0.444876D+00
      2  -0.122834D+01 -0.567702D+01  0.287403D+01  0.444876D+00  0.268346D+01
      3   0.400042D+00  0.287403D+01 -0.304682D+01 -0.686233D+00 -0.263675D+01
                81            82            83            84            85 
      1  -0.686233D+00 -0.629265D+01  0.207732D+01  0.210770D+01  0.353156D+01
      2  -0.263675D+01  0.207732D+01 -0.153428D+01 -0.817466D+00 -0.203495D+01
      3   0.342533D+01  0.210770D+01 -0.817466D+00 -0.195669D+01 -0.109627D+01
                86            87            88            89            90 
      1  -0.203495D+01 -0.109627D+01  0.214552D+01 -0.627805D+00 -0.206608D+01
      2   0.209724D+01  0.144822D+01 -0.627805D+00  0.108026D+01  0.698669D+00
      3   0.144822D+01  0.122403D+01 -0.206608D+01  0.698669D+00  0.167998D+01
                91            92            93            94            95 
      1  -0.607401D+00  0.175392D+01  0.238747D+00  0.410897D+01 -0.609643D+00
      2   0.175392D+01 -0.495716D+00 -0.187026D+00 -0.609643D+00  0.463027D+01
      3   0.238747D+00 -0.187026D+00  0.340714D+00 -0.857462D+00 -0.491765D+00
                96            97            98            99           100 
      1  -0.857462D+00 -0.356860D-01 -0.258009D+00  0.598172D+00 -0.119120D+01
      2  -0.491765D+00 -0.258009D+00 -0.418715D+00  0.508443D+00  0.630064D+00
      3   0.100479D+01  0.598172D+00  0.508443D+00 -0.775890D+00 -0.154343D+01
               101           102           103           104           105 
      1   0.630064D+00 -0.154343D+01  0.199453D+00 -0.649981D+00  0.101369D+00
      2  -0.126974D+01  0.516691D+00 -0.649981D+00  0.159885D+00 -0.542058D+00
      3   0.516691D+00 -0.207507D+01  0.101369D+00 -0.542058D+00  0.102114D+00
               106           107           108           109           110 
      1  -0.256933D+01  0.251168D+00 -0.192342D+01 -0.715520D+00  0.161563D+01
      2   0.251168D+00 -0.187523D+01  0.100461D+01  0.161563D+01 -0.274008D+01
      3  -0.192342D+01  0.100461D+01 -0.435375D+01  0.301854D+00 -0.657918D+00
               111           112           113           114           115 
      1   0.301854D+00  0.215705D+01 -0.241386D+01 -0.767556D+00  0.104023D+01
      2  -0.657918D+00 -0.241386D+01  0.640181D+01  0.172041D+01 -0.111437D+01
      3  -0.694660D+00 -0.767556D+00  0.172041D+01  0.149422D+01 -0.821982D+00
               116           117           118           119           120 
      1  -0.111437D+01 -0.821982D+00  0.126080D+01 -0.851118D+00 -0.460308D+00
      2   0.332095D+01  0.180201D+01 -0.851118D+00  0.135496D+01  0.776907D+00
      3   0.180201D+01  0.157790D+01 -0.460308D+00  0.776907D+00  0.127822D+01
               121           122           123           124           125 
      1  -0.180759D+01  0.787999D+00  0.490593D+00 -0.596826D+00  0.391451D+00
      2   0.787999D+00 -0.344891D+01 -0.188922D+01  0.391451D+00 -0.148774D+01
      3   0.490593D+00 -0.188922D+01 -0.216099D+01  0.293132D+00 -0.101334D+01
               126 
      1   0.293132D+00
      2  -0.101334D+01
      3  -0.187262D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.566160D+01 -0.107092D+01  0.208426D+01  0.171658D+00 -0.398014D+00
      2   0.755857D+01  0.290223D+01  0.160283D+01  0.571873D+01  0.524086D+01
      3  -0.805163D+01 -0.597807D-01  0.355812D+01  0.725636D+01  0.563559D+01
                 6             7             8             9            10 
      1  -0.474042D+01  0.174554D+01 -0.286844D+01  0.372073D+01  0.486009D+01
      2  -0.432649D+01 -0.224800D+01 -0.452261D+01 -0.229348D+01 -0.372768D+01
      3  -0.623591D+01  0.132606D+01 -0.558775D+01  0.306083D+01  0.218247D+01
                11            12            13            14            15 
      1   0.817667D+00 -0.151485D+00  0.462607D+00 -0.763885D+00  0.970155D+00
      2  -0.367187D+01  0.274127D+01 -0.643291D+01 -0.215445D+01 -0.540458D+00
      3  -0.435537D+01 -0.138921D+01  0.222943D+01  0.139652D+01  0.129534D+01
                16            17            18            19            20 
      1   0.692717D+00  0.616231D+01 -0.509787D+00 -0.143516D+01  0.261645D+01
      2  -0.263598D+01 -0.955558D+00 -0.261908D+00 -0.945609D+01  0.213196D+01
      3   0.197199D+01  0.186768D+01 -0.883381D+00  0.477243D+01 -0.401682D+01
                21            22            23            24            25 
      1   0.340817D+00  0.370001D+01  0.135126D+01  0.746890D+01 -0.181862D+01
      2  -0.196552D+01 -0.956757D+00  0.101225D+01  0.196268D+01 -0.164463D+02
      3  -0.315377D+00 -0.463868D+01 -0.884798D+01 -0.275138D+01 -0.456883D-01
                26            27            28            29            30 
      1   0.813651D+01 -0.141781D+01  0.129841D+01 -0.345758D+01 -0.212900D+01
      2   0.361639D+01  0.730021D+01  0.144084D+01 -0.171513D+01  0.671161D+01
      3  -0.294513D+01 -0.189974D-01  0.261717D+01 -0.122452D+02  0.353860D+00
                31            32            33            34            35 
      1  -0.305097D+01  0.338191D+01 -0.328180D+01  0.507566D+00  0.276129D+01
      2  -0.208122D+01  0.949697D+00 -0.623918D+00  0.549847D+01 -0.702898D+00
      3  -0.838574D+01  0.119390D+02  0.135540D+01 -0.545248D+00  0.252766D+01
                36            37            38            39            40 
      1   0.578228D+00 -0.144577D+01  0.295159D+01 -0.175370D+01  0.821784D+00
      2  -0.577935D+01 -0.329833D+00  0.392967D+01  0.987579D+01  0.195362D+01
      3  -0.163066D+01  0.477049D+01 -0.773068D+01 -0.279524D+01 -0.316332D+01
                41            42            43            44            45 
      1  -0.419700D+01 -0.448485D+01 -0.395036D+00  0.448512D+01 -0.498306D+01
      2  -0.193648D+01 -0.191060D+01 -0.773567D+00  0.255429D+00  0.795198D+01
      3   0.472562D+01  0.123526D+01 -0.117799D+01  0.254366D+00  0.412948D+00
                46            47            48            49            50 
      1  -0.177989D+01 -0.265875D+01 -0.556116D+01 -0.318681D+01  0.879277D+01
      2   0.594456D+00 -0.182528D+01  0.509033D+01  0.100551D+01  0.299028D+00
      3   0.183761D+01 -0.867752D+01  0.281006D+01  0.252967D+01  0.451780D+01
                51            52            53            54            55 
      1  -0.450580D+01 -0.663682D+01  0.512538D+01 -0.178053D+01  0.313311D+00
      2   0.774582D+00 -0.239654D+01  0.963422D+00  0.525298D+00  0.209584D+01
      3   0.170801D+01  0.139270D+01  0.260527D+01  0.572495D+01  0.138267D+01
                56            57            58            59            60 
      1   0.203661D+00  0.153192D+01  0.347514D+00 -0.205685D+01 -0.113299D+02
      2  -0.934785D+00  0.321804D+01  0.298571D+01 -0.256545D+00 -0.366807D+01
      3  -0.198755D+01  0.421627D+00  0.125378D+02  0.150690D+02 -0.324702D+00
                61            62            63            64            65 
      1   0.930980D+00  0.557214D+00  0.337688D+00 -0.848478D+00  0.167507D+00
      2   0.922084D+00 -0.489951D+01 -0.828762D+00 -0.330355D+00 -0.123925D+00
      3   0.208722D+00 -0.713406D-01  0.396020D+01  0.686394D-01 -0.613900D+00
                66            67            68            69            70 
      1  -0.210704D+00 -0.968746D-01  0.151208D+01 -0.250644D+00 -0.287820D+00
      2  -0.719686D+00  0.497872D+00 -0.364499D+00 -0.269851D+00 -0.352298D+01
      3   0.957525D+00  0.122031D+01  0.121048D+00  0.270346D+00  0.772926D+00
                71            72            73            74            75 
      1   0.303907D+01 -0.261243D+01 -0.144457D+00 -0.869273D-01 -0.882436D-01
      2  -0.577733D+00 -0.250295D+01 -0.236856D+01  0.365179D+00 -0.546003D+00
      3  -0.888649D-01  0.691638D+00 -0.109798D+01 -0.164125D+00 -0.607745D+00
                76            77            78            79            80 
      1  -0.823777D+00 -0.552182D+01 -0.724662D+00  0.228341D+00  0.278959D+01
      2   0.151732D+01 -0.353029D+01  0.473740D+01 -0.175187D+01  0.349664D+01
      3   0.133592D+01 -0.993460D+01  0.484205D+01 -0.572780D+00  0.445317D+01
                81            82            83            84            85 
      1  -0.104578D+00  0.226927D+01 -0.192461D+01 -0.230839D+00 -0.169947D+01
      2  -0.469366D+01  0.231830D+01 -0.401810D+00  0.337832D+01 -0.211417D+01
      3  -0.430856D+01  0.450314D+01 -0.545335D+01 -0.208407D+01 -0.268055D+01
                86            87            88            89            90 
      1   0.234923D+01  0.317981D+00 -0.850852D+00  0.238700D+01  0.354378D+00
      2  -0.689986D+00 -0.209517D+01  0.380461D+00 -0.539082D+00 -0.132042D+01
      3   0.487947D+01  0.289418D+01 -0.124196D+01  0.260559D+01  0.140271D+01
                91            92            93            94            95 
      1  -0.172601D+01  0.264851D+01 -0.125961D+01  0.285235D+01 -0.429953D+01
      2  -0.186830D+01  0.155803D+01 -0.827731D+00  0.165083D+01 -0.281710D+01
      3  -0.388824D+01  0.694352D+01  0.511398D+00  0.101560D+02 -0.167432D+02
                96            97            98            99           100 
      1  -0.463590D+00 -0.923767D+00  0.136749D+01  0.644269D+00  0.357303D+01
      2   0.251305D+01 -0.170414D+01  0.151001D+01  0.924022D-03 -0.129235D+01
      3   0.168874D+00 -0.278669D-01 -0.516489D+00  0.310842D+00 -0.267315D+01
               101           102           103           104           105 
      1   0.131186D+00  0.521482D+01  0.772571D+00  0.171701D+01 -0.224287D+00
      2   0.878257D-01  0.227879D-01 -0.554386D+00 -0.885430D+00 -0.378131D+00
      3  -0.152457D+00 -0.329042D+01  0.399002D+00 -0.168992D+01  0.116051D+00
               106           107           108           109           110 
      1   0.499099D+01 -0.225340D-02  0.899525D+01 -0.448719D+00  0.185388D+01
      2  -0.253844D+01 -0.408698D+00  0.141532D+00  0.428266D+00  0.482024D-01
      3  -0.620313D+01 -0.276039D+00 -0.428834D+01 -0.185408D+01  0.220891D+01
               111           112           113           114           115 
      1   0.217797D+01  0.275518D+01 -0.412493D+01 -0.472545D+01  0.222269D+01
      2   0.357244D+00 -0.353002D+00  0.668367D-02 -0.544651D+00 -0.102568D+01
      3   0.535215D+00  0.642777D+01 -0.406229D+01 -0.207893D+01  0.306993D+01
               116           117           118           119           120 
      1  -0.333467D+01 -0.381459D+01  0.117596D+01 -0.219168D+01  0.349469D-01
      2   0.314333D-01 -0.433643D+00  0.342293D+01 -0.295187D+01 -0.304486D+01
      3  -0.194408D+01 -0.199671D+01 -0.467852D+01  0.386766D+01  0.193711D+01
               121           122           123           124           125 
      1  -0.151182D+01  0.285937D+01  0.799067D-01 -0.296925D+00  0.183098D+01
      2  -0.283716D+01  0.512627D+01  0.436962D+01 -0.239784D+01  0.262347D+01
      3   0.541632D+01 -0.689674D+01 -0.400813D+01  0.107234D+01 -0.288404D+01
               126 
      1  -0.106043D-01
      2   0.370776D+01
      3  -0.243745D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.757949D+01  0.124834D+02  0.763293D+01  0.155324D+02  0.835820D+00
      2   0.277747D+01 -0.910994D+01 -0.276224D+01 -0.109593D+02 -0.657890D+00
      3   0.480201D+01 -0.337345D+01 -0.487069D+01 -0.457311D+01 -0.177930D+00
      4   0.140655D+02 -0.255291D+01 -0.683298D+01 -0.513683D+01 -0.244610D+01
      5   0.630552D+01 -0.100482D+02 -0.764625D+01 -0.123387D+02  0.119824D+02
      6  -0.403195D+01 -0.181253D+00  0.995546D+00  0.330965D+01  0.810891D+01
                 6             7             8             9            10 
      1  -0.103817D+02  0.554267D+01 -0.874366D+01 -0.489690D+01 -0.451080D+01
      2   0.757762D+01 -0.465948D+01  0.219602D+01  0.281499D+01  0.736323D+01
      3   0.280406D+01 -0.883191D+00  0.654764D+01  0.208191D+01 -0.285243D+01
      4   0.100167D+02 -0.903197D+01  0.766045D+01 -0.552304D+01 -0.231482D+01
      5  -0.354240D+01 -0.165245D+02 -0.614438D+01 -0.909055D+00  0.154263D+00
      6  -0.994575D+01 -0.145451D+01 -0.123683D+02  0.368036D+01  0.566581D+00
                11            12            13            14            15 
      1  -0.149552D+01  0.377403D+01 -0.514935D+01  0.361178D+01  0.136203D+01
      2   0.229402D+01  0.229311D+01  0.349861D+01 -0.666338D+01  0.277977D+01
      3  -0.798494D+00 -0.606714D+01  0.165073D+01  0.305160D+01 -0.414179D+01
      4   0.396362D+01  0.311931D+00 -0.435948D+01 -0.274126D+01 -0.605607D+00
      5   0.284151D+01  0.189151D+01  0.582374D+01 -0.141099D+01 -0.156996D+01
      6  -0.196889D+01 -0.276976D+01 -0.837495D+00  0.138282D+01 -0.286541D+01
                16            17            18            19            20 
      1  -0.935037D+00 -0.291409D+00  0.137242D+02 -0.604943D+01 -0.646193D+01
      2   0.283920D+01  0.108548D+02  0.104775D+02  0.120032D+01  0.581202D+01
      3  -0.190416D+01 -0.105633D+02 -0.242017D+02  0.484911D+01  0.649906D+00
      4   0.335278D+01 -0.227059D+01 -0.102731D+01 -0.382075D+01 -0.254428D+01
      5   0.129335D+00  0.107201D+01 -0.179128D+01  0.443563D+01  0.225160D+01
      6  -0.118896D+01 -0.267555D+01 -0.103274D+02  0.401034D+00  0.243983D+00
                21            22            23            24            25 
      1  -0.133561D+01 -0.140005D+01  0.141582D+02 -0.133822D+01  0.534313D+01
      2  -0.645506D+01  0.375212D+01 -0.256058D+02 -0.211378D+01 -0.567022D+01
      3   0.779066D+01 -0.235207D+01  0.114476D+02  0.345200D+01  0.327094D+00
      4   0.167563D+01 -0.138196D+02  0.183141D+02 -0.264515D+01  0.401308D+01
      5  -0.333029D+01  0.243555D+01 -0.529397D+01  0.142138D+01  0.138845D+01
      6  -0.866057D+00 -0.187264D+01  0.311822D+01 -0.113359D+02  0.179789D+01
                26            27            28            29            30 
      1   0.221496D+01 -0.259706D+01  0.419528D+02  0.476908D+01 -0.470616D+01
      2  -0.353675D+00 -0.382877D+01 -0.264739D+02 -0.881472D+00  0.711949D+01
      3  -0.186129D+01  0.642583D+01 -0.154789D+02 -0.388761D+01 -0.241333D+01
      4   0.187103D+01  0.191194D+01  0.111668D+02  0.114648D+02 -0.198161D+01
      5   0.937587D+00  0.696032D+01 -0.910024D+01 -0.113770D+01  0.136872D+02
      6   0.206817D+01  0.277443D+01 -0.529563D+00 -0.120481D+01  0.290395D+01
                31            32            33            34            35 
      1  -0.508613D+01  0.804591D+01  0.149917D+01 -0.452160D+01 -0.908337D+00
      2   0.601114D+01 -0.340873D+01 -0.564491D+00  0.559159D+01  0.526233D+00
      3  -0.925014D+00 -0.463719D+01 -0.934678D+00 -0.106999D+01  0.382104D+00
      4   0.123024D+02 -0.154812D+01 -0.150111D+01 -0.314704D+01 -0.165923D+01
      5   0.144749D+01 -0.203856D+01  0.258881D+00  0.138772D+02  0.385234D+01
      6  -0.163808D+01  0.974071D+00  0.676704D+01  0.550070D+00  0.475735D+01
                36            37            38            39            40 
      1   0.398047D+01  0.196233D+02 -0.432818D+01  0.157895D+01 -0.665179D+01
      2  -0.107720D+02 -0.119288D+02  0.486779D+01 -0.387200D+01  0.637082D+01
      3   0.679153D+01 -0.769450D+01 -0.539603D+00  0.229305D+01  0.280969D+00
      4   0.280256D+01  0.400370D+01  0.919569D+01  0.366596D+01  0.922673D+01
      5  -0.117306D+02  0.106481D+02  0.233922D+01  0.129607D+02  0.277997D+01
      6  -0.152999D+01 -0.106959D+00  0.661298D+01  0.532602D+01  0.391144D+01
                41            42            43            44            45 
      1   0.698712D+01  0.414587D+01  0.369540D+01  0.533375D+01  0.129619D+01
      2  -0.178688D+01 -0.325672D+01 -0.369244D+01 -0.204130D+01 -0.140103D+02
      3  -0.520025D+01 -0.889150D+00 -0.296061D-02 -0.329245D+01  0.127141D+02
      4  -0.899454D+00  0.903515D+00  0.698052D+01  0.132346D+01  0.393605D+01
      5   0.206677D+01 -0.189274D+01  0.183037D+02  0.438251D+01  0.170973D+02
      6  -0.389786D+01  0.281833D+01  0.435489D+01  0.736412D+01  0.305554D+01
                46            47            48            49            50 
      1   0.118949D+02 -0.737617D+01 -0.246354D+01 -0.507372D+01 -0.103335D+02
      2  -0.815441D+01  0.130421D+02  0.472985D+01  0.115642D+02  0.142101D+02
      3  -0.374050D+01 -0.566592D+01 -0.226631D+01 -0.649046D+01 -0.387666D+01
      4   0.165612D+01 -0.210706D+01  0.212057D+01  0.237973D+01  0.117321D+02
      5  -0.236722D+01 -0.801370D+00  0.770953D+00 -0.167661D+01  0.223650D+01
      6   0.208620D+01  0.361079D+01  0.984689D+01  0.337713D+01 -0.146561D+02
                51            52            53            54            55 
      1   0.706550D+01 -0.376374D+01  0.853697D+01 -0.260516D+01  0.492000D+01
      2  -0.117157D+02  0.727731D+01 -0.159419D+02  0.861176D-01  0.187488D+01
      3   0.465018D+01 -0.351357D+01  0.740491D+01  0.251904D+01 -0.679488D+01
      4   0.250938D+01  0.228811D+01  0.410683D+01  0.958197D+01 -0.103424D+02
      5   0.151932D+01  0.226294D+01  0.207291D+01 -0.363596D+01  0.239684D+01
      6   0.495408D+01  0.101778D+02  0.184956D+01  0.168646D+01 -0.121924D+01
                56            57            58            59            60 
      1  -0.460854D+01  0.107559D+00 -0.575076D+01 -0.289061D+02  0.294431D+01
      2  -0.496466D+00  0.114400D+01 -0.107886D+01  0.513415D+02 -0.126563D+01
      3   0.510500D+01 -0.125155D+01  0.682962D+01 -0.224354D+02 -0.167868D+01
      4   0.160322D+02 -0.168439D+01  0.184044D+02 -0.331584D+02  0.440819D+01
      5  -0.275425D+01  0.554186D+01 -0.161854D+01  0.784528D+01 -0.669764D+01
      6   0.155153D+01 -0.238896D+01  0.311959D+01 -0.506967D+01  0.165553D+02
                61            62            63            64            65 
      1   0.465758D+00  0.115762D+01 -0.637955D+01 -0.224688D-01 -0.137371D+01
      2   0.124390D+01 -0.745813D+00  0.381107D+01 -0.401446D+01  0.405098D+00
      3  -0.170966D+01 -0.411807D+00  0.256848D+01  0.403693D+01  0.968611D+00
      4  -0.142240D+01  0.200786D+01 -0.798625D+01  0.685506D+00  0.211587D+01
      5   0.581130D+01 -0.844725D+01  0.292803D+01  0.137734D+01  0.120970D+01
      6  -0.277589D+01  0.145472D+02 -0.288736D+01  0.218542D+01  0.158144D+01
                66            67            68            69            70 
      1  -0.254975D+01 -0.304703D+00 -0.513916D+01 -0.310431D+01 -0.154680D+01
      2  -0.172859D+01 -0.502467D+00  0.827836D+00  0.759767D+00 -0.119584D+01
      3   0.427834D+01  0.807170D+00  0.431132D+01  0.234455D+01  0.274263D+01
      4   0.192153D+01  0.251873D+01  0.303043D+00  0.435145D+00  0.665247D+00
      5   0.702539D+01  0.453225D+00  0.694262D+00  0.441134D+00  0.566722D+01
      6   0.184519D+01  0.141174D+01  0.395463D+01  0.874186D+01  0.110914D+01
                71            72            73            74            75 
      1  -0.488325D+01 -0.209821D+02  0.793606D+00  0.181396D+01 -0.379595D+01
      2  -0.110345D+01 -0.179950D+02  0.337214D+00 -0.527219D-01  0.162985D+01
      3   0.598670D+01  0.389771D+02 -0.113082D+01 -0.176124D+01  0.216610D+01
      4   0.682202D+00  0.127936D+01  0.202939D+01  0.449768D+01 -0.162199D+01
      5   0.925224D-01  0.192961D+01 -0.333555D+01 -0.143161D+01  0.292437D+01
      6   0.789402D+01  0.143466D+02 -0.267287D+01 -0.531376D+00  0.848480D-01
                76            77            78            79            80 
      1   0.262397D+01 -0.711718D+01  0.610329D+01 -0.261441D+01  0.529321D+01
      2  -0.749259D+00  0.985830D+01 -0.295644D+01  0.220113D+01 -0.119099D+01
      3  -0.187471D+01 -0.274112D+01 -0.314685D+01  0.413277D+00 -0.410222D+01
      4   0.759277D+01  0.165102D+02 -0.841136D+01 -0.254202D+01 -0.701686D+01
      5  -0.369779D+01 -0.984855D+01  0.102181D+02  0.556874D+01  0.843589D+01
      6  -0.277212D+01 -0.157861D+02  0.128747D+02  0.177752D+01  0.119452D+02
                81            82            83            84            85 
      1  -0.657096D+01  0.319772D+02 -0.912488D+01 -0.889057D+01 -0.138062D+02
      2  -0.147083D+01 -0.190387D+02  0.482362D+01  0.741384D+01  0.769433D+01
      3   0.804178D+01 -0.129385D+02  0.430126D+01  0.147673D+01  0.611186D+01
      4   0.692476D+01 -0.113780D+02  0.918203D+01  0.444061D+01  0.119199D+02
      5  -0.105820D+02 -0.172701D+02  0.618143D+01  0.129287D+02  0.900634D+01
      6  -0.122728D+02  0.320058D+01 -0.266917D+01 -0.130923D+01 -0.374775D+01
                86            87            88            89            90 
      1   0.604836D+01  0.370809D+01 -0.751082D+01  0.181320D+01  0.528626D+01
      2  -0.174029D+01 -0.375017D+01  0.739527D+01 -0.215349D+01 -0.701520D+01
      3  -0.430807D+01  0.420814D-01  0.115552D+00  0.340284D+00  0.172893D+01
      4  -0.112964D+02 -0.632509D+01  0.373392D+01 -0.433795D+01 -0.412827D+01
      5  -0.768732D+01 -0.734155D+01  0.137941D+02 -0.478925D+01 -0.104106D+02
      6   0.318537D+01  0.423555D+01 -0.208998D+01  0.418066D+01  0.252771D+01
                91            92            93            94            95 
      1  -0.678879D+01  0.273257D+01  0.684708D+00  0.127685D+02 -0.463932D+01
      2   0.726106D+01 -0.133373D+00 -0.136954D+01 -0.833432D+01  0.702892D+01
      3  -0.472267D+00 -0.259920D+01  0.684832D+00 -0.443418D+01 -0.238960D+01
      4   0.399610D+01  0.149395D+01  0.484771D-02  0.590850D+01  0.133530D+02
      5   0.183969D+01 -0.937872D+00 -0.112095D+01 -0.355371D+01 -0.104804D+01
      6  -0.385673D+00 -0.711768D-01  0.223834D+01 -0.126365D+01 -0.338874D+01
                96            97            98            99           100 
      1  -0.120017D+01  0.138996D+01  0.649426D+00 -0.975690D+00  0.124224D+01
      2   0.115347D+01 -0.853923D+00 -0.352844D+00 -0.108740D+00 -0.636707D+00
      3   0.466979D-01 -0.536037D+00 -0.296582D+00  0.108443D+01 -0.605529D+00
      4  -0.311456D+01 -0.745709D+00 -0.166811D+01  0.238193D+01 -0.430582D+01
      5   0.457205D+01  0.211770D+01  0.191339D+01 -0.128079D+01  0.427850D+01
      6   0.133901D+01  0.151294D+01  0.240498D+01 -0.197294D+01 -0.476223D+01
               101           102           103           104           105 
      1   0.221865D+01  0.386195D+00  0.669336D+00 -0.358978D+00  0.974761D+00
      2  -0.397401D+01 -0.160988D+01 -0.186239D+01  0.131484D+01 -0.172026D+01
      3   0.175536D+01  0.122369D+01  0.119305D+01 -0.955859D+00  0.745499D+00
      4   0.532070D+01 -0.503132D+01  0.347298D+01 -0.143855D+01  0.154067D+01
      5  -0.117232D+01  0.493198D+01 -0.330226D+00  0.166942D+01 -0.889841D+00
      6   0.263638D+01 -0.812342D+01  0.156345D+01 -0.120634D+01  0.223263D+01
               106           107           108           109           110 
      1   0.821925D+00  0.331587D+01 -0.312048D+01 -0.122378D+01  0.522269D+01
      2  -0.287087D+01 -0.490618D+01 -0.400547D+01  0.520780D+01 -0.124983D+02
      3   0.204895D+01  0.159031D+01  0.712595D+01 -0.398402D+01  0.727558D+01
      4  -0.825141D+01  0.367458D+01 -0.718375D+01 -0.519218D+01  0.103864D+02
      5   0.479497D+01 -0.225961D+01  0.732733D+01 -0.152429D+01  0.177091D+01
      6  -0.719289D+01  0.454996D+01 -0.145225D+02  0.275880D+01 -0.514284D+01
               111           112           113           114           115 
      1   0.112340D+01  0.420965D+01 -0.157611D+02 -0.470843D+01  0.200671D+01
      2  -0.251778D+01 -0.102484D+02  0.310060D+02  0.864299D+01 -0.403611D+01
      3   0.139437D+01  0.603877D+01 -0.152448D+02 -0.393456D+01  0.202940D+01
      4   0.228901D+01  0.104153D+02 -0.140728D+02 -0.447020D+01  0.405980D+01
      5   0.262964D+01  0.637883D+00 -0.231835D+01 -0.151830D+01  0.243948D+01
      6  -0.375690D+01 -0.500528D+01  0.128780D+02  0.850162D+01 -0.457161D+01
               116           117           118           119           120 
      1  -0.838661D+01 -0.554863D+01 -0.452724D+01  0.582487D+01  0.442025D+01
      2   0.137674D+02  0.627622D+01  0.337403D+01 -0.424651D+01 -0.199827D+01
      3  -0.538084D+01 -0.727594D+00  0.115320D+01 -0.157835D+01 -0.242198D+01
      4  -0.694846D+01 -0.431117D+01 -0.269392D-01 -0.157986D+01 -0.484431D+00
      5  -0.228259D+01 -0.220977D+01 -0.863564D+00  0.482364D+00 -0.140947D+01
      6   0.124115D+02  0.894681D+01  0.250986D+01 -0.446761D+01 -0.402646D+01
               121           122           123           124           125 
      1   0.727071D+01 -0.106777D+02 -0.626577D+01  0.364362D+01 -0.429734D+01
      2  -0.485995D+01  0.107672D+02  0.482072D+01 -0.155274D+01  0.224960D+01
      3  -0.241076D+01 -0.895104D-01  0.144505D+01 -0.209088D+01  0.204774D+01
      4   0.450975D+00  0.761090D+01  0.423428D+01  0.470900D-01  0.257478D+01
      5   0.631352D+00  0.315119D+01  0.502158D+01  0.164589D+01  0.138613D+01
      6  -0.258115D+01  0.919618D+01  0.691227D+01 -0.178421D+01  0.594004D+01
               126 
      1  -0.513422D+01
      2   0.121695D+01
      3   0.391727D+01
      4   0.134121D+01
      5   0.328234D+01
      6   0.528845D+01
 Leave Link  716 at Thu Aug 12 21:11:26 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.612766D+02  0.222216D+00 -0.302516D+01
      2   0.222216D+00  0.648689D+02 -0.120663D+01
      3  -0.302516D+01 -0.120663D+01  0.517853D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.160812D+01  0.819594D+01 -0.564891D+01
      2  -0.132224D+02 -0.422177D+01 -0.136052D+02
      3   0.102516D+02 -0.131885D+01  0.291374D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.155168D+02 -0.595153D+01 -0.176505D+02
      2   0.108326D+02  0.136660D+02 -0.253792D+01
      3   0.468421D+01 -0.771442D+01  0.201884D+02
      4   0.151283D+02 -0.301474D+01 -0.913881D+01
      5   0.251559D+01 -0.103254D+02 -0.289864D+02
      6  -0.467360D+01  0.144718D+02  0.106316D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.465667D+00 -0.390348D+01 -0.123086D+01 -0.480998D+01  0.122687D+01
      2  -0.390348D+01 -0.218221D+00  0.169890D+01  0.122687D+01  0.166804D+01
      3  -0.123086D+01  0.169890D+01  0.988602D+00  0.144296D+01 -0.341690D+01
                 6             7             8             9            10 
      1   0.144296D+01 -0.229910D+01  0.132071D+01  0.266379D+01  0.728949D-01
      2  -0.341690D+01  0.132071D+01 -0.322040D+01  0.241688D+01  0.409326D+01
      3   0.181676D+01  0.266379D+01  0.241688D+01  0.106449D+01  0.340466D+00
                11            12            13            14            15 
      1   0.409326D+01  0.340466D+00  0.374325D+01 -0.900057D+00 -0.890459D+00
      2   0.216740D+00 -0.114418D+01 -0.900057D+00 -0.193221D+01  0.153633D+01
      3  -0.114418D+01 -0.146006D+01 -0.890459D+00  0.153633D+01 -0.111244D+01
                16            17            18            19            20 
      1   0.116561D+01 -0.164143D-01 -0.130379D+01  0.192020D+01 -0.229986D+01
      2  -0.164143D-01  0.140801D+01 -0.196371D+01 -0.229986D+01  0.460065D+00
      3  -0.130379D+01 -0.196371D+01 -0.605209D+01  0.118358D+00  0.726911D+00
                21            22            23            24            25 
      1   0.118358D+00 -0.127780D+01  0.185586D+00  0.997360D+00 -0.217369D+00
      2   0.726911D+00  0.185586D+00  0.582003D+01 -0.658030D+00  0.991240D+00
      3   0.750228D+00  0.997360D+00 -0.658030D+00  0.306247D+00  0.347403D+00
                26            27            28            29            30 
      1   0.991240D+00  0.347403D+00  0.704255D+01  0.996344D+00 -0.165867D+01
      2  -0.128687D+01  0.233219D+00  0.996344D+00  0.181380D+01 -0.340303D+00
      3   0.233219D+00  0.297120D+00 -0.165867D+01 -0.340303D+00  0.117244D+01
                31            32            33            34            35 
      1  -0.209578D+01  0.321297D+01  0.312167D+00 -0.153178D+01 -0.384667D+00
      2   0.321297D+01 -0.214331D+01 -0.537634D+00 -0.384667D+00  0.770301D-01
      3   0.312167D+00 -0.537634D+00  0.107247D+00  0.205531D+01  0.888651D+00
                36            37            38            39            40 
      1   0.205531D+01 -0.310211D+01  0.406091D+00 -0.149882D+01  0.174809D+01
      2   0.888651D+00  0.406091D+00 -0.179509D+01 -0.105607D+01 -0.170415D+01
      3  -0.233588D+01 -0.149882D+01 -0.105607D+01 -0.191539D+01 -0.951395D+00
                41            42            43            44            45 
      1  -0.170415D+01 -0.951395D+00 -0.100614D+01 -0.148241D+01 -0.295105D+01
      2   0.177386D+01  0.368811D+00 -0.148241D+01  0.415749D+00 -0.812739D+00
      3   0.368811D+00  0.129809D+01 -0.295105D+01 -0.812739D+00 -0.377310D+01
                46            47            48            49            50 
      1   0.907285D+00 -0.917328D+00  0.539571D+00 -0.756884D+00  0.282900D+01
      2  -0.917328D+00  0.290260D+01  0.570168D+00  0.282900D+01  0.257403D+01
      3   0.539571D+00  0.570168D+00  0.253663D+01  0.651763D+00 -0.268339D+01
                51            52            53            54            55 
      1   0.651763D+00  0.568836D+00  0.709646D+00  0.251617D+01  0.424826D+00
      2  -0.268339D+01  0.709646D+00 -0.302357D+01  0.245206D+00 -0.279167D+01
      3   0.245679D+00  0.251617D+01  0.245206D+00  0.132141D+01  0.356972D+00
                56            57            58            59            60 
      1  -0.279167D+01  0.356972D+00 -0.320029D+01  0.949003D+00 -0.226330D+00
      2   0.135001D+01 -0.508686D+00  0.949003D+00 -0.133665D+02  0.922824D+00
      3  -0.508686D+00 -0.438492D-01 -0.226330D+00  0.922824D+00 -0.234736D+01
                61            62            63            64            65 
      1   0.617165D+00 -0.365848D+00  0.348948D+00  0.624501D+00 -0.179306D+00
      2  -0.365848D+00  0.621867D+00 -0.300656D+01 -0.179306D+00  0.350089D+00
      3   0.348948D+00 -0.300656D+01  0.814103D+00  0.145222D+01  0.447915D+00
                66            67            68            69            70 
      1   0.145222D+01 -0.316916D+00  0.349547D+00  0.393227D+00  0.161807D+01
      2   0.447915D+00  0.349547D+00  0.144282D+01  0.134837D+01  0.140434D+00
      3   0.103558D+01  0.393227D+00  0.134837D+01  0.106846D+01  0.929622D+00
                71            72            73            74            75 
      1   0.140434D+00  0.929622D+00  0.121500D+00 -0.629870D+00  0.936196D+00
      2   0.170519D+01  0.163540D+01 -0.629870D+00 -0.395131D+00 -0.258363D-01
      3   0.163540D+01  0.898300D+01  0.936196D+00 -0.258363D-01  0.433194D-01
                76            77            78            79            80 
      1  -0.122313D+01 -0.122834D+01  0.400042D+00  0.110080D+01  0.444876D+00
      2  -0.122834D+01 -0.567702D+01  0.287403D+01  0.444876D+00  0.268346D+01
      3   0.400042D+00  0.287403D+01 -0.304682D+01 -0.686233D+00 -0.263675D+01
                81            82            83            84            85 
      1  -0.686233D+00 -0.629265D+01  0.207732D+01  0.210770D+01  0.353156D+01
      2  -0.263675D+01  0.207732D+01 -0.153428D+01 -0.817466D+00 -0.203495D+01
      3   0.342533D+01  0.210770D+01 -0.817466D+00 -0.195669D+01 -0.109627D+01
                86            87            88            89            90 
      1  -0.203495D+01 -0.109627D+01  0.214552D+01 -0.627805D+00 -0.206608D+01
      2   0.209724D+01  0.144822D+01 -0.627805D+00  0.108026D+01  0.698669D+00
      3   0.144822D+01  0.122403D+01 -0.206608D+01  0.698669D+00  0.167998D+01
                91            92            93            94            95 
      1  -0.607401D+00  0.175392D+01  0.238747D+00  0.410897D+01 -0.609643D+00
      2   0.175392D+01 -0.495716D+00 -0.187026D+00 -0.609643D+00  0.463027D+01
      3   0.238747D+00 -0.187026D+00  0.340714D+00 -0.857462D+00 -0.491765D+00
                96            97            98            99           100 
      1  -0.857462D+00 -0.356860D-01 -0.258009D+00  0.598172D+00 -0.119120D+01
      2  -0.491765D+00 -0.258009D+00 -0.418715D+00  0.508443D+00  0.630064D+00
      3   0.100479D+01  0.598172D+00  0.508443D+00 -0.775890D+00 -0.154343D+01
               101           102           103           104           105 
      1   0.630064D+00 -0.154343D+01  0.199453D+00 -0.649981D+00  0.101369D+00
      2  -0.126974D+01  0.516691D+00 -0.649981D+00  0.159885D+00 -0.542058D+00
      3   0.516691D+00 -0.207507D+01  0.101369D+00 -0.542058D+00  0.102114D+00
               106           107           108           109           110 
      1  -0.256933D+01  0.251168D+00 -0.192342D+01 -0.715520D+00  0.161563D+01
      2   0.251168D+00 -0.187523D+01  0.100461D+01  0.161563D+01 -0.274008D+01
      3  -0.192342D+01  0.100461D+01 -0.435375D+01  0.301854D+00 -0.657918D+00
               111           112           113           114           115 
      1   0.301854D+00  0.215705D+01 -0.241386D+01 -0.767556D+00  0.104023D+01
      2  -0.657918D+00 -0.241386D+01  0.640181D+01  0.172041D+01 -0.111437D+01
      3  -0.694660D+00 -0.767556D+00  0.172041D+01  0.149422D+01 -0.821982D+00
               116           117           118           119           120 
      1  -0.111437D+01 -0.821982D+00  0.126080D+01 -0.851118D+00 -0.460308D+00
      2   0.332095D+01  0.180201D+01 -0.851118D+00  0.135496D+01  0.776907D+00
      3   0.180201D+01  0.157790D+01 -0.460308D+00  0.776907D+00  0.127822D+01
               121           122           123           124           125 
      1  -0.180759D+01  0.787999D+00  0.490593D+00 -0.596826D+00  0.391451D+00
      2   0.787999D+00 -0.344891D+01 -0.188922D+01  0.391451D+00 -0.148774D+01
      3   0.490593D+00 -0.188922D+01 -0.216099D+01  0.293132D+00 -0.101334D+01
               126 
      1   0.293132D+00
      2  -0.101334D+01
      3  -0.187262D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.566160D+01 -0.107092D+01  0.208426D+01  0.171658D+00 -0.398014D+00
      2   0.755857D+01  0.290223D+01  0.160283D+01  0.571873D+01  0.524086D+01
      3  -0.805163D+01 -0.597807D-01  0.355812D+01  0.725636D+01  0.563559D+01
                 6             7             8             9            10 
      1  -0.474042D+01  0.174554D+01 -0.286844D+01  0.372073D+01  0.486009D+01
      2  -0.432649D+01 -0.224800D+01 -0.452261D+01 -0.229348D+01 -0.372768D+01
      3  -0.623591D+01  0.132606D+01 -0.558775D+01  0.306083D+01  0.218247D+01
                11            12            13            14            15 
      1   0.817667D+00 -0.151485D+00  0.462607D+00 -0.763885D+00  0.970155D+00
      2  -0.367187D+01  0.274127D+01 -0.643291D+01 -0.215445D+01 -0.540458D+00
      3  -0.435537D+01 -0.138921D+01  0.222943D+01  0.139652D+01  0.129534D+01
                16            17            18            19            20 
      1   0.692717D+00  0.616231D+01 -0.509787D+00 -0.143516D+01  0.261645D+01
      2  -0.263598D+01 -0.955558D+00 -0.261908D+00 -0.945609D+01  0.213196D+01
      3   0.197199D+01  0.186768D+01 -0.883381D+00  0.477243D+01 -0.401682D+01
                21            22            23            24            25 
      1   0.340817D+00  0.370001D+01  0.135126D+01  0.746890D+01 -0.181862D+01
      2  -0.196552D+01 -0.956757D+00  0.101225D+01  0.196268D+01 -0.164463D+02
      3  -0.315377D+00 -0.463868D+01 -0.884798D+01 -0.275138D+01 -0.456883D-01
                26            27            28            29            30 
      1   0.813651D+01 -0.141781D+01  0.129841D+01 -0.345758D+01 -0.212900D+01
      2   0.361639D+01  0.730021D+01  0.144084D+01 -0.171513D+01  0.671161D+01
      3  -0.294513D+01 -0.189974D-01  0.261717D+01 -0.122452D+02  0.353860D+00
                31            32            33            34            35 
      1  -0.305097D+01  0.338191D+01 -0.328180D+01  0.507566D+00  0.276129D+01
      2  -0.208122D+01  0.949697D+00 -0.623918D+00  0.549847D+01 -0.702898D+00
      3  -0.838574D+01  0.119390D+02  0.135540D+01 -0.545248D+00  0.252766D+01
                36            37            38            39            40 
      1   0.578228D+00 -0.144577D+01  0.295159D+01 -0.175370D+01  0.821784D+00
      2  -0.577935D+01 -0.329833D+00  0.392967D+01  0.987579D+01  0.195362D+01
      3  -0.163066D+01  0.477049D+01 -0.773068D+01 -0.279524D+01 -0.316332D+01
                41            42            43            44            45 
      1  -0.419700D+01 -0.448485D+01 -0.395036D+00  0.448512D+01 -0.498306D+01
      2  -0.193648D+01 -0.191060D+01 -0.773567D+00  0.255429D+00  0.795198D+01
      3   0.472562D+01  0.123526D+01 -0.117799D+01  0.254366D+00  0.412948D+00
                46            47            48            49            50 
      1  -0.177989D+01 -0.265875D+01 -0.556116D+01 -0.318681D+01  0.879277D+01
      2   0.594456D+00 -0.182528D+01  0.509033D+01  0.100551D+01  0.299028D+00
      3   0.183761D+01 -0.867752D+01  0.281006D+01  0.252967D+01  0.451780D+01
                51            52            53            54            55 
      1  -0.450580D+01 -0.663682D+01  0.512538D+01 -0.178053D+01  0.313311D+00
      2   0.774582D+00 -0.239654D+01  0.963422D+00  0.525298D+00  0.209584D+01
      3   0.170801D+01  0.139270D+01  0.260527D+01  0.572495D+01  0.138267D+01
                56            57            58            59            60 
      1   0.203661D+00  0.153192D+01  0.347514D+00 -0.205685D+01 -0.113299D+02
      2  -0.934785D+00  0.321804D+01  0.298571D+01 -0.256545D+00 -0.366807D+01
      3  -0.198755D+01  0.421627D+00  0.125378D+02  0.150690D+02 -0.324702D+00
                61            62            63            64            65 
      1   0.930980D+00  0.557214D+00  0.337688D+00 -0.848478D+00  0.167507D+00
      2   0.922084D+00 -0.489951D+01 -0.828762D+00 -0.330355D+00 -0.123925D+00
      3   0.208722D+00 -0.713406D-01  0.396020D+01  0.686394D-01 -0.613900D+00
                66            67            68            69            70 
      1  -0.210704D+00 -0.968746D-01  0.151208D+01 -0.250644D+00 -0.287820D+00
      2  -0.719686D+00  0.497872D+00 -0.364499D+00 -0.269851D+00 -0.352298D+01
      3   0.957525D+00  0.122031D+01  0.121048D+00  0.270346D+00  0.772926D+00
                71            72            73            74            75 
      1   0.303907D+01 -0.261243D+01 -0.144457D+00 -0.869273D-01 -0.882436D-01
      2  -0.577733D+00 -0.250295D+01 -0.236856D+01  0.365179D+00 -0.546003D+00
      3  -0.888649D-01  0.691638D+00 -0.109798D+01 -0.164125D+00 -0.607745D+00
                76            77            78            79            80 
      1  -0.823777D+00 -0.552182D+01 -0.724662D+00  0.228341D+00  0.278959D+01
      2   0.151732D+01 -0.353029D+01  0.473740D+01 -0.175187D+01  0.349664D+01
      3   0.133592D+01 -0.993460D+01  0.484205D+01 -0.572780D+00  0.445317D+01
                81            82            83            84            85 
      1  -0.104578D+00  0.226927D+01 -0.192461D+01 -0.230839D+00 -0.169947D+01
      2  -0.469366D+01  0.231830D+01 -0.401810D+00  0.337832D+01 -0.211417D+01
      3  -0.430856D+01  0.450314D+01 -0.545335D+01 -0.208407D+01 -0.268055D+01
                86            87            88            89            90 
      1   0.234923D+01  0.317981D+00 -0.850852D+00  0.238700D+01  0.354378D+00
      2  -0.689986D+00 -0.209517D+01  0.380461D+00 -0.539082D+00 -0.132042D+01
      3   0.487947D+01  0.289418D+01 -0.124196D+01  0.260559D+01  0.140271D+01
                91            92            93            94            95 
      1  -0.172601D+01  0.264851D+01 -0.125961D+01  0.285235D+01 -0.429953D+01
      2  -0.186830D+01  0.155803D+01 -0.827731D+00  0.165083D+01 -0.281710D+01
      3  -0.388824D+01  0.694352D+01  0.511398D+00  0.101560D+02 -0.167432D+02
                96            97            98            99           100 
      1  -0.463590D+00 -0.923767D+00  0.136749D+01  0.644269D+00  0.357303D+01
      2   0.251305D+01 -0.170414D+01  0.151001D+01  0.924022D-03 -0.129235D+01
      3   0.168874D+00 -0.278669D-01 -0.516489D+00  0.310842D+00 -0.267315D+01
               101           102           103           104           105 
      1   0.131186D+00  0.521482D+01  0.772571D+00  0.171701D+01 -0.224287D+00
      2   0.878257D-01  0.227879D-01 -0.554386D+00 -0.885430D+00 -0.378131D+00
      3  -0.152457D+00 -0.329042D+01  0.399002D+00 -0.168992D+01  0.116051D+00
               106           107           108           109           110 
      1   0.499099D+01 -0.225340D-02  0.899525D+01 -0.448719D+00  0.185388D+01
      2  -0.253844D+01 -0.408698D+00  0.141532D+00  0.428266D+00  0.482024D-01
      3  -0.620313D+01 -0.276039D+00 -0.428834D+01 -0.185408D+01  0.220891D+01
               111           112           113           114           115 
      1   0.217797D+01  0.275518D+01 -0.412493D+01 -0.472545D+01  0.222269D+01
      2   0.357244D+00 -0.353002D+00  0.668367D-02 -0.544651D+00 -0.102568D+01
      3   0.535215D+00  0.642777D+01 -0.406229D+01 -0.207893D+01  0.306993D+01
               116           117           118           119           120 
      1  -0.333467D+01 -0.381459D+01  0.117596D+01 -0.219168D+01  0.349469D-01
      2   0.314333D-01 -0.433643D+00  0.342293D+01 -0.295187D+01 -0.304486D+01
      3  -0.194408D+01 -0.199671D+01 -0.467852D+01  0.386766D+01  0.193711D+01
               121           122           123           124           125 
      1  -0.151182D+01  0.285937D+01  0.799067D-01 -0.296925D+00  0.183098D+01
      2  -0.283716D+01  0.512627D+01  0.436962D+01 -0.239784D+01  0.262347D+01
      3   0.541632D+01 -0.689674D+01 -0.400813D+01  0.107234D+01 -0.288404D+01
               126 
      1  -0.106043D-01
      2   0.370776D+01
      3  -0.243745D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.757949D+01  0.124834D+02  0.763293D+01  0.155324D+02  0.835820D+00
      2   0.277747D+01 -0.910994D+01 -0.276224D+01 -0.109593D+02 -0.657890D+00
      3   0.480201D+01 -0.337345D+01 -0.487069D+01 -0.457311D+01 -0.177930D+00
      4   0.140655D+02 -0.255291D+01 -0.683298D+01 -0.513683D+01 -0.244610D+01
      5   0.630552D+01 -0.100482D+02 -0.764625D+01 -0.123387D+02  0.119824D+02
      6  -0.403195D+01 -0.181253D+00  0.995546D+00  0.330965D+01  0.810891D+01
                 6             7             8             9            10 
      1  -0.103817D+02  0.554267D+01 -0.874366D+01 -0.489690D+01 -0.451080D+01
      2   0.757762D+01 -0.465948D+01  0.219602D+01  0.281499D+01  0.736323D+01
      3   0.280406D+01 -0.883191D+00  0.654764D+01  0.208191D+01 -0.285243D+01
      4   0.100167D+02 -0.903197D+01  0.766045D+01 -0.552304D+01 -0.231482D+01
      5  -0.354240D+01 -0.165245D+02 -0.614438D+01 -0.909055D+00  0.154263D+00
      6  -0.994575D+01 -0.145451D+01 -0.123683D+02  0.368036D+01  0.566581D+00
                11            12            13            14            15 
      1  -0.149552D+01  0.377403D+01 -0.514935D+01  0.361178D+01  0.136203D+01
      2   0.229402D+01  0.229311D+01  0.349861D+01 -0.666338D+01  0.277977D+01
      3  -0.798494D+00 -0.606714D+01  0.165073D+01  0.305160D+01 -0.414179D+01
      4   0.396362D+01  0.311931D+00 -0.435948D+01 -0.274126D+01 -0.605607D+00
      5   0.284151D+01  0.189151D+01  0.582374D+01 -0.141099D+01 -0.156996D+01
      6  -0.196889D+01 -0.276976D+01 -0.837495D+00  0.138282D+01 -0.286541D+01
                16            17            18            19            20 
      1  -0.935037D+00 -0.291409D+00  0.137242D+02 -0.604943D+01 -0.646193D+01
      2   0.283920D+01  0.108548D+02  0.104775D+02  0.120032D+01  0.581202D+01
      3  -0.190416D+01 -0.105633D+02 -0.242017D+02  0.484911D+01  0.649906D+00
      4   0.335278D+01 -0.227059D+01 -0.102731D+01 -0.382075D+01 -0.254428D+01
      5   0.129335D+00  0.107201D+01 -0.179128D+01  0.443563D+01  0.225160D+01
      6  -0.118896D+01 -0.267555D+01 -0.103274D+02  0.401034D+00  0.243983D+00
                21            22            23            24            25 
      1  -0.133561D+01 -0.140005D+01  0.141582D+02 -0.133822D+01  0.534313D+01
      2  -0.645506D+01  0.375212D+01 -0.256058D+02 -0.211378D+01 -0.567022D+01
      3   0.779066D+01 -0.235207D+01  0.114476D+02  0.345200D+01  0.327094D+00
      4   0.167563D+01 -0.138196D+02  0.183141D+02 -0.264515D+01  0.401308D+01
      5  -0.333029D+01  0.243555D+01 -0.529397D+01  0.142138D+01  0.138845D+01
      6  -0.866057D+00 -0.187264D+01  0.311822D+01 -0.113359D+02  0.179789D+01
                26            27            28            29            30 
      1   0.221496D+01 -0.259706D+01  0.419528D+02  0.476908D+01 -0.470616D+01
      2  -0.353675D+00 -0.382877D+01 -0.264739D+02 -0.881472D+00  0.711949D+01
      3  -0.186129D+01  0.642583D+01 -0.154789D+02 -0.388761D+01 -0.241333D+01
      4   0.187103D+01  0.191194D+01  0.111668D+02  0.114648D+02 -0.198161D+01
      5   0.937587D+00  0.696032D+01 -0.910024D+01 -0.113770D+01  0.136872D+02
      6   0.206817D+01  0.277443D+01 -0.529563D+00 -0.120481D+01  0.290395D+01
                31            32            33            34            35 
      1  -0.508613D+01  0.804591D+01  0.149917D+01 -0.452160D+01 -0.908337D+00
      2   0.601114D+01 -0.340873D+01 -0.564491D+00  0.559159D+01  0.526233D+00
      3  -0.925014D+00 -0.463719D+01 -0.934678D+00 -0.106999D+01  0.382104D+00
      4   0.123024D+02 -0.154812D+01 -0.150111D+01 -0.314704D+01 -0.165923D+01
      5   0.144749D+01 -0.203856D+01  0.258881D+00  0.138772D+02  0.385234D+01
      6  -0.163808D+01  0.974071D+00  0.676704D+01  0.550070D+00  0.475735D+01
                36            37            38            39            40 
      1   0.398047D+01  0.196233D+02 -0.432818D+01  0.157895D+01 -0.665179D+01
      2  -0.107720D+02 -0.119288D+02  0.486779D+01 -0.387200D+01  0.637082D+01
      3   0.679153D+01 -0.769450D+01 -0.539603D+00  0.229305D+01  0.280969D+00
      4   0.280256D+01  0.400370D+01  0.919569D+01  0.366596D+01  0.922673D+01
      5  -0.117306D+02  0.106481D+02  0.233922D+01  0.129607D+02  0.277997D+01
      6  -0.152999D+01 -0.106959D+00  0.661298D+01  0.532602D+01  0.391144D+01
                41            42            43            44            45 
      1   0.698712D+01  0.414587D+01  0.369540D+01  0.533375D+01  0.129619D+01
      2  -0.178688D+01 -0.325672D+01 -0.369244D+01 -0.204130D+01 -0.140103D+02
      3  -0.520025D+01 -0.889150D+00 -0.296061D-02 -0.329245D+01  0.127141D+02
      4  -0.899454D+00  0.903515D+00  0.698052D+01  0.132346D+01  0.393605D+01
      5   0.206677D+01 -0.189274D+01  0.183037D+02  0.438251D+01  0.170973D+02
      6  -0.389786D+01  0.281833D+01  0.435489D+01  0.736412D+01  0.305554D+01
                46            47            48            49            50 
      1   0.118949D+02 -0.737617D+01 -0.246354D+01 -0.507372D+01 -0.103335D+02
      2  -0.815441D+01  0.130421D+02  0.472985D+01  0.115642D+02  0.142101D+02
      3  -0.374050D+01 -0.566592D+01 -0.226631D+01 -0.649046D+01 -0.387666D+01
      4   0.165612D+01 -0.210706D+01  0.212057D+01  0.237973D+01  0.117321D+02
      5  -0.236722D+01 -0.801370D+00  0.770953D+00 -0.167661D+01  0.223650D+01
      6   0.208620D+01  0.361079D+01  0.984689D+01  0.337713D+01 -0.146561D+02
                51            52            53            54            55 
      1   0.706550D+01 -0.376374D+01  0.853697D+01 -0.260516D+01  0.492000D+01
      2  -0.117157D+02  0.727731D+01 -0.159419D+02  0.861176D-01  0.187488D+01
      3   0.465018D+01 -0.351357D+01  0.740491D+01  0.251904D+01 -0.679488D+01
      4   0.250938D+01  0.228811D+01  0.410683D+01  0.958197D+01 -0.103424D+02
      5   0.151932D+01  0.226294D+01  0.207291D+01 -0.363596D+01  0.239684D+01
      6   0.495408D+01  0.101778D+02  0.184956D+01  0.168646D+01 -0.121924D+01
                56            57            58            59            60 
      1  -0.460854D+01  0.107559D+00 -0.575076D+01 -0.289061D+02  0.294431D+01
      2  -0.496466D+00  0.114400D+01 -0.107886D+01  0.513415D+02 -0.126563D+01
      3   0.510500D+01 -0.125155D+01  0.682962D+01 -0.224354D+02 -0.167868D+01
      4   0.160322D+02 -0.168439D+01  0.184044D+02 -0.331584D+02  0.440819D+01
      5  -0.275425D+01  0.554186D+01 -0.161854D+01  0.784528D+01 -0.669764D+01
      6   0.155153D+01 -0.238896D+01  0.311959D+01 -0.506967D+01  0.165553D+02
                61            62            63            64            65 
      1   0.465758D+00  0.115762D+01 -0.637955D+01 -0.224688D-01 -0.137371D+01
      2   0.124390D+01 -0.745813D+00  0.381107D+01 -0.401446D+01  0.405098D+00
      3  -0.170966D+01 -0.411807D+00  0.256848D+01  0.403693D+01  0.968611D+00
      4  -0.142240D+01  0.200786D+01 -0.798625D+01  0.685506D+00  0.211587D+01
      5   0.581130D+01 -0.844725D+01  0.292803D+01  0.137734D+01  0.120970D+01
      6  -0.277589D+01  0.145472D+02 -0.288736D+01  0.218542D+01  0.158144D+01
                66            67            68            69            70 
      1  -0.254975D+01 -0.304703D+00 -0.513916D+01 -0.310431D+01 -0.154680D+01
      2  -0.172859D+01 -0.502467D+00  0.827836D+00  0.759767D+00 -0.119584D+01
      3   0.427834D+01  0.807170D+00  0.431132D+01  0.234455D+01  0.274263D+01
      4   0.192153D+01  0.251873D+01  0.303043D+00  0.435145D+00  0.665247D+00
      5   0.702539D+01  0.453225D+00  0.694262D+00  0.441134D+00  0.566722D+01
      6   0.184519D+01  0.141174D+01  0.395463D+01  0.874186D+01  0.110914D+01
                71            72            73            74            75 
      1  -0.488325D+01 -0.209821D+02  0.793606D+00  0.181396D+01 -0.379595D+01
      2  -0.110345D+01 -0.179950D+02  0.337214D+00 -0.527219D-01  0.162985D+01
      3   0.598670D+01  0.389771D+02 -0.113082D+01 -0.176124D+01  0.216610D+01
      4   0.682202D+00  0.127936D+01  0.202939D+01  0.449768D+01 -0.162199D+01
      5   0.925224D-01  0.192961D+01 -0.333555D+01 -0.143161D+01  0.292437D+01
      6   0.789402D+01  0.143466D+02 -0.267287D+01 -0.531376D+00  0.848480D-01
                76            77            78            79            80 
      1   0.262397D+01 -0.711718D+01  0.610329D+01 -0.261441D+01  0.529321D+01
      2  -0.749259D+00  0.985830D+01 -0.295644D+01  0.220113D+01 -0.119099D+01
      3  -0.187471D+01 -0.274112D+01 -0.314685D+01  0.413277D+00 -0.410222D+01
      4   0.759277D+01  0.165102D+02 -0.841136D+01 -0.254202D+01 -0.701686D+01
      5  -0.369779D+01 -0.984855D+01  0.102181D+02  0.556874D+01  0.843589D+01
      6  -0.277212D+01 -0.157861D+02  0.128747D+02  0.177752D+01  0.119452D+02
                81            82            83            84            85 
      1  -0.657096D+01  0.319772D+02 -0.912488D+01 -0.889057D+01 -0.138062D+02
      2  -0.147083D+01 -0.190387D+02  0.482362D+01  0.741384D+01  0.769433D+01
      3   0.804178D+01 -0.129385D+02  0.430126D+01  0.147673D+01  0.611186D+01
      4   0.692476D+01 -0.113780D+02  0.918203D+01  0.444061D+01  0.119199D+02
      5  -0.105820D+02 -0.172701D+02  0.618143D+01  0.129287D+02  0.900634D+01
      6  -0.122728D+02  0.320058D+01 -0.266917D+01 -0.130923D+01 -0.374775D+01
                86            87            88            89            90 
      1   0.604836D+01  0.370809D+01 -0.751082D+01  0.181320D+01  0.528626D+01
      2  -0.174029D+01 -0.375017D+01  0.739527D+01 -0.215349D+01 -0.701520D+01
      3  -0.430807D+01  0.420814D-01  0.115552D+00  0.340284D+00  0.172893D+01
      4  -0.112964D+02 -0.632509D+01  0.373392D+01 -0.433795D+01 -0.412827D+01
      5  -0.768732D+01 -0.734155D+01  0.137941D+02 -0.478925D+01 -0.104106D+02
      6   0.318537D+01  0.423555D+01 -0.208998D+01  0.418066D+01  0.252771D+01
                91            92            93            94            95 
      1  -0.678879D+01  0.273257D+01  0.684708D+00  0.127685D+02 -0.463932D+01
      2   0.726106D+01 -0.133373D+00 -0.136954D+01 -0.833432D+01  0.702892D+01
      3  -0.472267D+00 -0.259920D+01  0.684832D+00 -0.443418D+01 -0.238960D+01
      4   0.399610D+01  0.149395D+01  0.484771D-02  0.590850D+01  0.133530D+02
      5   0.183969D+01 -0.937872D+00 -0.112095D+01 -0.355371D+01 -0.104804D+01
      6  -0.385673D+00 -0.711768D-01  0.223834D+01 -0.126365D+01 -0.338874D+01
                96            97            98            99           100 
      1  -0.120017D+01  0.138996D+01  0.649426D+00 -0.975690D+00  0.124224D+01
      2   0.115347D+01 -0.853923D+00 -0.352844D+00 -0.108740D+00 -0.636707D+00
      3   0.466979D-01 -0.536037D+00 -0.296582D+00  0.108443D+01 -0.605529D+00
      4  -0.311456D+01 -0.745709D+00 -0.166811D+01  0.238193D+01 -0.430582D+01
      5   0.457205D+01  0.211770D+01  0.191339D+01 -0.128079D+01  0.427850D+01
      6   0.133901D+01  0.151294D+01  0.240498D+01 -0.197294D+01 -0.476223D+01
               101           102           103           104           105 
      1   0.221865D+01  0.386195D+00  0.669336D+00 -0.358978D+00  0.974761D+00
      2  -0.397401D+01 -0.160988D+01 -0.186239D+01  0.131484D+01 -0.172026D+01
      3   0.175536D+01  0.122369D+01  0.119305D+01 -0.955859D+00  0.745499D+00
      4   0.532070D+01 -0.503132D+01  0.347298D+01 -0.143855D+01  0.154067D+01
      5  -0.117232D+01  0.493198D+01 -0.330226D+00  0.166942D+01 -0.889841D+00
      6   0.263638D+01 -0.812342D+01  0.156345D+01 -0.120634D+01  0.223263D+01
               106           107           108           109           110 
      1   0.821925D+00  0.331587D+01 -0.312048D+01 -0.122378D+01  0.522269D+01
      2  -0.287087D+01 -0.490618D+01 -0.400547D+01  0.520780D+01 -0.124983D+02
      3   0.204895D+01  0.159031D+01  0.712595D+01 -0.398402D+01  0.727558D+01
      4  -0.825141D+01  0.367458D+01 -0.718375D+01 -0.519218D+01  0.103864D+02
      5   0.479497D+01 -0.225961D+01  0.732733D+01 -0.152429D+01  0.177091D+01
      6  -0.719289D+01  0.454996D+01 -0.145225D+02  0.275880D+01 -0.514284D+01
               111           112           113           114           115 
      1   0.112340D+01  0.420965D+01 -0.157611D+02 -0.470843D+01  0.200671D+01
      2  -0.251778D+01 -0.102484D+02  0.310060D+02  0.864299D+01 -0.403611D+01
      3   0.139437D+01  0.603877D+01 -0.152448D+02 -0.393456D+01  0.202940D+01
      4   0.228901D+01  0.104153D+02 -0.140728D+02 -0.447020D+01  0.405980D+01
      5   0.262964D+01  0.637883D+00 -0.231835D+01 -0.151830D+01  0.243948D+01
      6  -0.375690D+01 -0.500528D+01  0.128780D+02  0.850162D+01 -0.457161D+01
               116           117           118           119           120 
      1  -0.838661D+01 -0.554863D+01 -0.452724D+01  0.582487D+01  0.442025D+01
      2   0.137674D+02  0.627622D+01  0.337403D+01 -0.424651D+01 -0.199827D+01
      3  -0.538084D+01 -0.727594D+00  0.115320D+01 -0.157835D+01 -0.242198D+01
      4  -0.694846D+01 -0.431117D+01 -0.269392D-01 -0.157986D+01 -0.484431D+00
      5  -0.228259D+01 -0.220977D+01 -0.863564D+00  0.482364D+00 -0.140947D+01
      6   0.124115D+02  0.894681D+01  0.250986D+01 -0.446761D+01 -0.402646D+01
               121           122           123           124           125 
      1   0.727071D+01 -0.106777D+02 -0.626577D+01  0.364362D+01 -0.429734D+01
      2  -0.485995D+01  0.107672D+02  0.482072D+01 -0.155274D+01  0.224960D+01
      3  -0.241076D+01 -0.895104D-01  0.144505D+01 -0.209088D+01  0.204774D+01
      4   0.450975D+00  0.761090D+01  0.423428D+01  0.470900D-01  0.257478D+01
      5   0.631352D+00  0.315119D+01  0.502158D+01  0.164589D+01  0.138613D+01
      6  -0.258115D+01  0.919618D+01  0.691227D+01 -0.178421D+01  0.594004D+01
               126 
      1  -0.513422D+01
      2   0.121695D+01
      3   0.391727D+01
      4   0.134121D+01
      5   0.328234D+01
      6   0.528845D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163291D+01      0.415044D+01      0.138444D+02
   x         -0.837095D+00     -0.212768D+01     -0.709719D+01
   y          0.130233D+01      0.331019D+01      0.110416D+02
   z          0.519226D+00      0.131974D+01      0.440218D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.543539D+02      0.805441D+01      0.896174D+01
   aniso      0.123091D+02      0.182403D+01      0.202950D+01
   xx         0.558131D+02      0.827066D+01      0.920234D+01
   yx        -0.712495D-01     -0.105581D-01     -0.117474D-01
   yy         0.598545D+02      0.886952D+01      0.986867D+01
   zx        -0.302624D+01     -0.448443D+00     -0.498960D+00
   zy        -0.963500D+00     -0.142776D+00     -0.158860D+00
   zz         0.473939D+02      0.702306D+01      0.781420D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.593103D+02      0.878887D+01      0.977894D+01
   aniso      0.130021D+02      0.192671D+01      0.214375D+01
   xx         0.612766D+02      0.908025D+01      0.101031D+02
   yx         0.222216D+00      0.329291D-01      0.366385D-01
   yy         0.648689D+02      0.961257D+01      0.106954D+02
   zx        -0.302516D+01     -0.448283D+00     -0.498782D+00
   zy        -0.120663D+01     -0.178805D+00     -0.198947D+00
   zz         0.517853D+02      0.767379D+01      0.853825D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.93312426         -1.92897440          1.28743446
     6          0.62221096         -0.59053280          1.25684763
     6          1.38917040          0.02062008         -1.48377381
     8          2.71059711          2.15380868         -1.71961686
     8         -3.86836082         -0.31348698          0.35805374
     7          0.71963309          1.73409401          2.75937971
     8          0.85813757         -1.31393047         -3.24607072
     1          2.06699205         -1.88927780          1.96737703
     1         -1.82015914         -3.67583559          0.19630936
     1         -2.44094419         -2.39242361          3.23112090
     1          2.71121714          2.91437272         -0.02064803
     1         -0.98202627          2.61842280          2.67678729
     1          1.12060494          1.38166812          4.59413738
     1         -3.76565706         -0.31338124         -1.46272959

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163291D+01      0.415044D+01      0.138444D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163291D+01      0.415044D+01      0.138444D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.543539D+02      0.805441D+01      0.896174D+01
   aniso      0.123091D+02      0.182403D+01      0.202950D+01
   xx         0.511636D+02      0.758166D+01      0.843573D+01
   yx         0.548842D+01      0.813300D+00      0.904918D+00
   yy         0.538093D+02      0.797371D+01      0.887195D+01
   zx        -0.870754D+00     -0.129032D+00     -0.143568D+00
   zy         0.272254D+01      0.403438D+00      0.448886D+00
   zz         0.580887D+02      0.860786D+01      0.957753D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.593103D+02      0.878887D+01      0.977894D+01
   aniso      0.130021D+02      0.192671D+01      0.214375D+01
   xx         0.563714D+02      0.835338D+01      0.929439D+01
   yx         0.599961D+01      0.889050D+00      0.989202D+00
   yy         0.587649D+02      0.870806D+01      0.968902D+01
   zx        -0.113929D+01     -0.168825D+00     -0.187844D+00
   zy         0.291909D+01      0.432565D+00      0.481294D+00
   zz         0.627945D+02      0.930518D+01      0.103534D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-03\Freq\RM11\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.484901,-0.3021
 02,0.506335\C,-0.17429,0.470913,0.629509\C,0.994437,-0.392531,0.11848\
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 WE HAVE LEFT UNDONE THOSE THINGS WHICH WE OUGHT TO HAVE DONE,
 AND WE HAVE DONE THOSE THINGS WHICH WE OUGHT NOT TO HAVE DONE.
                   BOOK OF COMMON PRAYER                      
 Job cpu time:       0 days  2 hours 37 minutes 46.9 seconds.
 Elapsed time:       0 days  0 hours 19 minutes 45.3 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:11:27 2021.
